theophylline [Ligand Id: 413] activity data from GtoPdb and ChEMBL

Click here for a description of the charts and data table

Please tell us if you are using this feature and what you think!

ChEMBL ligand: CHEMBL190 (Accurbron, Aerolate, Aerolate iii, Aerolate jr, Aerolate sr, Aquaphyllin, Bronkodyl, Dimethylxanthine, Doxophylline metabolite m3, Duraphyl, Elixicon, Elixomin, Elixophyllin, Elixophyllin sr, Labid, Lanophyllin, Lasma, NSC-2066, NSC-757346, Nuelin, Nuelin sa, Nuelin sa-250, Pro-vent, Quibron, Quibron-t, Quibron-t/sr, Respbid, Slo-bid, Slo-phyllin, Somophyllin-crt, Somophyllin-t, Sustaire, Theo-24, Theobid, Theobid jr., Theochron, Theocin, Theoclear-100, Theoclear-200, Theoclear-80, Theoclear l.a.-130, Theoclear l.a.-260, Theo-dur, Theograd, Theolair, Theolair-sr, Theolixir, Theophyl, Theophyl-225, Theophylline, Theophylline anhydrous, Theophylline, anhydrous, Theophylline,anhydrous, Theophylline melting point standard, Theophylline monohydrate, Theophylline-sr, Theophyl-sr, Theovent, T-phyl, Uni-dur, Uniphyl, Uniphyllin continus)
There should be some charts here, you may need to enable JavaScript!
  • A2A receptor/Adenosine A2a receptor in Human [ChEMBL: CHEMBL251] [GtoPdb: 19] [UniProtKB: P29274]
  • A2A receptor/Adenosine A2a receptor in Rat [ChEMBL: CHEMBL302] [GtoPdb: 19] [UniProtKB: P30543]
  • Adenosine A2a receptor in Guinea pig [ChEMBL: CHEMBL2605] [UniProtKB: P46616]
There should be some charts here, you may need to enable JavaScript!
  • A2B receptor/Adenosine A2b receptor in Human [ChEMBL: CHEMBL255] [GtoPdb: 20] [UniProtKB: P29275]
  • A2B receptor in Mouse [GtoPdb: 20] [UniProtKB: Q60614]
  • A2B receptor/Adenosine A2b receptor in Rat [ChEMBL: CHEMBL2592] [GtoPdb: 20] [UniProtKB: P29276]
There should be some charts here, you may need to enable JavaScript!
  • A3 receptor/Adenosine A3 receptor in Human [ChEMBL: CHEMBL256] [GtoPdb: 21] [UniProtKB: P0DMS8]
  • A3 receptor/Adenosine A3 receptor in Rat [ChEMBL: CHEMBL3360] [GtoPdb: 21] [UniProtKB: P28647]
There should be some charts here, you may need to enable JavaScript!
  • Alkaline phosphatase, tissue-nonspecific isozyme in Human [ChEMBL: CHEMBL5979] [UniProtKB: P05186]
There should be some charts here, you may need to enable JavaScript!
There should be some charts here, you may need to enable JavaScript!
  • Intestinal alkaline phosphatase in Human [ChEMBL: CHEMBL5573] [UniProtKB: P09923]
There should be some charts here, you may need to enable JavaScript!
There should be some charts here, you may need to enable JavaScript!
  • Phospholipase A-2-activating protein in Human [ChEMBL: CHEMBL6114] [UniProtKB: Q9Y263]
There should be some charts here, you may need to enable JavaScript!
  • phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit delta/PI3-kinase p110-delta subunit in Human [ChEMBL: CHEMBL3130] [GtoPdb: 2155] [UniProtKB: O00329]
There should be some charts here, you may need to enable JavaScript!
  • Transmembrane domain-containing protein TMIGD3 in Human [ChEMBL: CHEMBL3712907] [UniProtKB: P0DMS9]
There should be some charts here, you may need to enable JavaScript!
DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
A1 receptor/Adenosine A1 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL226] [GtoPdb: 18] [UniProtKB: P30542]
ChEMBL Dissociation constant against Adenosine A1 receptor B 4.92 pKd 12000 nM Kd J Med Chem (2005) 48: 2026-2035 [PMID:15771445]
ChEMBL Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHO-A1 cell membrane B 5 pKi 10100 nM Ki Bioorg Med Chem (2010) 18: 2081-2088 [PMID:20202853]
ChEMBL DRUGMATRIX: Adenosine A1 radioligand binding (ligand: DPCPX) B 5 pKi 9977 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL Binding affinity to adenosine A1 receptor B 5.07 pKi 8500 nM Ki J Nat Prod (2000) 63: 315-317 [PMID:10757709]
ChEMBL Displacement of [3H]CPX from human adenosine A3 receptor expressed in CHO cells B 5.16 pKi 6920 nM Ki J Med Chem (2006) 49: 3682-3692 [PMID:16759111]
ChEMBL Displacement of [3H]CCPA from human adenosine receptor A1 expressed in CHO cell membranes by radioligand competition assay B 5.17 pKi 6770 nM Ki J Med Chem (2020) 63: 2577-2587 [PMID:31738058]
ChEMBL Displacement of [3H]CCPA from human adenosine receptor A1 expressed in CHO cell membranes incubated for 90 mins by radioligand competition assay B 5.17 pKi 6770 nM Ki Eur J Med Chem (2020) 186: 111879-111879 [PMID:31780082]
ChEMBL Antagonist activity at adenosine A1 receptor (unknown origin) F 5.17 pKi 6770 nM Ki Eur J Med Chem (2022) 227: 113907-113907 [PMID:34695776]
ChEMBL Binding affinity to human adenosine A1 receptor B 5.17 pKi 6770 nM Ki Bioorg Med Chem (2010) 18: 2195-2203 [PMID:20188574]
ChEMBL Binding affinity to human adenosine A1 receptor B 5.17 pKi 6770 nM Ki Bioorg Med Chem (2013) 21: 7435-7452 [PMID:24139167]
ChEMBL Displacement of [3H]CCPA from human A1 adenosine receptor expressed in CHO cells B 5.17 pKi 6770 nM Ki Medchemcomm (2016) 7: 845-852
ChEMBL Binding affinity to human adenosine A1 receptor by radioligand displacement assay B 5.17 pKi 6770 nM Ki Medchemcomm (2018) 9: 951-962 [PMID:30108984]
GtoPdb - - 5.2 pKi - - - J Biol Chem (1994) 269: 32077-84 [PMID:7798201];
Naunyn Schmiedebergs Arch Pharmacol (1998) 357: 1-9 [PMID:9459566];
Biochem Pharmacol (2005) 70: 1601-12 [PMID:16219300];
Biochem Pharmacol (2001) 62: 1163-73 [PMID:11705449]
ChEMBL Binding affinity to human adenosine A1 receptor B 5.21 pKi 6200 nM Ki J Med Chem (2009) 52: 3994-4006 [PMID:19569717]
ChEMBL Displacement of [3H]CHA from cloned human adenosine A1 receptor expressed in CHO cells B 5.21 pKi 6200 nM Ki J Med Chem (2005) 48: 7932-7945 [PMID:16335918]
ChEMBL Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells B 5.21 pKi 6200 nM Ki J Med Chem (2006) 49: 3916-3925 [PMID:16789747]
ChEMBL Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells B 5.21 pKi 6200 nM Ki J Med Chem (2007) 50: 4061-4074 [PMID:17665891]
ChEMBL Displacement of [3H]DPCPX from human cloned adenosine A1 receptor expressed in CHO cells B 5.21 pKi 6200 nM Ki J Med Chem (2009) 52: 2407-2419 [PMID:19301821]
ChEMBL Displacement of [125I]DPCPX from human cloned adenosine A1 receptor expressed in CHO cells B 5.21 pKi 6200 nM Ki Bioorg Med Chem (2008) 16: 6086-6102 [PMID:18468446]
ChEMBL Binding affinity against human adenosine A1 receptor expressed in CHO cells using [3H]CHA B 5.21 pKi 6200 nM Ki J Med Chem (2004) 47: 3580-3590 [PMID:15214785]
ChEMBL Binding affinity for adenosine A1 receptor by using as [3H]CPX iradioligand n membranes from Chinese hamster ovary cells B 9.22 pKi 0.6 nM Ki Bioorg Med Chem Lett (2005) 15: 609-612 [PMID:15664822]
ChEMBL DRUGMATRIX: Adenosine A1 radioligand binding (ligand: DPCPX) B 4.77 pIC50 17104 nM IC50 DrugMatrix in vitro pharmacology data
Adenosine A1 receptor in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4975] [UniProtKB: P28190]
ChEMBL Antagonist binding of N6-cyclohexyl-[3H]-adenosine to bovine brain B 4.7 pKi 20000 nM Ki J Med Chem (1982) 25: 197-207 [PMID:6279840]
ChEMBL Affinity to A1 adenosine receptor was measured by the displacement of [3H]PIA in bovine brain cortical membrane B 5.07 pKi 8500 nM Ki J Med Chem (1994) 37: 2970-2975 [PMID:8071944]
ChEMBL Displacement of [3H]CPX from adenosine A1 receptor of calf brain cortical membrane B 5.22 pKi 6000 nM Ki J Med Chem (1991) 34: 1202-1206 [PMID:2002461]
ChEMBL Displacement of [3H]CHA from adenosine A1 receptor in bovine brain membranes B 5.42 pKi 3800 nM Ki J Med Chem (2000) 43: 3118-3124 [PMID:10956220]
ChEMBL Displacement of [3H]CHA from adenosine A1 receptor in bovine cerebral cortical membranes B 5.42 pKi 3800 nM Ki J Med Chem (2005) 48: 7932-7945 [PMID:16335918]
ChEMBL Displacement of [3H]DPCPX from adenosine A1 receptor in bovine brain membranes B 5.42 pKi 3800 nM Ki J Med Chem (2006) 49: 3916-3925 [PMID:16789747]
ChEMBL Displacement of [3H]DPCPX from bovine brain cortical membrane adenosine A1 receptor B 5.42 pKi 3800 nM Ki J Med Chem (2009) 52: 2407-2419 [PMID:19301821]
ChEMBL Displacement of [125I]DPCPX from adenosine A1 receptor in bovine brain membrane B 5.42 pKi 3800 nM Ki Bioorg Med Chem (2008) 16: 6086-6102 [PMID:18468446]
ChEMBL Binding affinity towards adenosine A1 receptor of bovine brain membrane using [3H]-CHA at 20 uM B 5.42 pKi 3800 nM Ki J Med Chem (2000) 43: 1158-1164 [PMID:10737748]
ChEMBL Binding affinity against adenosine A1 receptor in bovine brain membranes by [3H]CHA displacement. B 5.42 pKi 3800 nM Ki J Med Chem (2004) 47: 3580-3590 [PMID:15214785]
ChEMBL Binding affinity against bovine brain adenosine A1 receptor using N6-[3H]- cyclohexyladenosine B 4.9 pIC50 12700 nM IC50 J Med Chem (1985) 28: 1071-1079 [PMID:2991519]
ChEMBL Binding affinity against bovine brain adenosine A1 receptor using N6-[3H]- cyclohexyladenosine B 5.61 pIC50 2430 nM IC50 J Med Chem (1985) 28: 1071-1079 [PMID:2991519]
A1 receptor/Adenosine A1 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL318] [GtoPdb: 18] [UniProtKB: P25099]
ChEMBL Displacement of [3H]CHA from adenosine A1 receptor in rat brain cortical membrane B 4.59 pKi 26000 nM Ki J Nat Prod (1998) 61: 301-305 [PMID:9514015]
ChEMBL Ability to inhibit binding of [3H]CHA to adenosine A1 receptor in rat brain cortical membranes. B 4.77 pKi 17000 nM Ki J Med Chem (1997) 40: 4396-4405 [PMID:9435909]
ChEMBL Binding affinity to rat adenosine A1 receptor B 4.85 pKi 14000 nM Ki Bioorg Med Chem (2010) 18: 2195-2203 [PMID:20188574]
ChEMBL Binding affinity at Adenosine A1 receptor in rat brain cortical membrane using [3H]N6-R-phenylisopropyladenosine (R-PIA) as radioligand B 4.85 pKi 14000 nM Ki J Med Chem (1993) 36: 3341-3349 [PMID:8230124]
ChEMBL Binding of 1 nM [3H]CHA to Adenosine A1 receptor of rat cerebral cortical membranes B 4.85 pKi 14000 nM Ki J Med Chem (1988) 31: 2034-2039 [PMID:3172141]
ChEMBL Binding affinity to rat adenosine A1 receptor B 4.85 pKi 14000 nM Ki Bioorg Med Chem (2013) 21: 7435-7452 [PMID:24139167]
ChEMBL Ability to inhibit binding of 1 nM [3H]cyclohexyladenosine to adenosine A1 receptor in rat cerebral cortical membranes B 4.85 pKi 14000 nM Ki J Med Chem (1986) 29: 1305-1308 [PMID:3806581]
ChEMBL Binding affinity to A1 adenosine receptor from rat cortical membrane in presence of [3H]R-(phenylisopropyl)-adenosine B 4.85 pKi 14000 nM Ki J Med Chem (1994) 37: 1526-1534 [PMID:8182711]
ChEMBL Displacement of [3H]CCPA from adenosine receptor A1 in rat brain cortex membranes incubated for 90 mins by radioligand competition assay B 4.85 pKi 14000 nM Ki Eur J Med Chem (2020) 186: 111879-111879 [PMID:31780082]
ChEMBL Binding affinity for Adenosine A1 receptor from rat brain using [3H]-PIA as radioligand B 4.85 pKi 14000 nM Ki J Med Chem (1990) 33: 2818-2821 [PMID:2213834]
ChEMBL Antagonism of binding of 1 nM [3H]cyclohexyladenosine to adenosine A1 receptors on rat cortical membranes B 4.85 pKi 14000 nM Ki J Med Chem (1985) 28: 487-492 [PMID:2984420]
ChEMBL Binding affinity for adenosine A1 receptor from rat brain membranes using [3H]PIA as radioligand B 4.85 pKi 14000 nM Ki J Med Chem (1993) 36: 2639-2644 [PMID:8410976]
ChEMBL Ability to inhibit binding of [3H]R-PIA to Adenosine A1 receptor in rat brain cortical membranes B 4.85 pKi 14000 nM Ki J Med Chem (1997) 40: 4396-4405 [PMID:9435909]
ChEMBL Inhibition of 1 nM [3H]- N6-(phenylisopropyl) adenosine binding to Adenosine A1 receptor in rat cerebral cortical membranes B 4.89 pKi 13000 nM Ki J Med Chem (1989) 32: 1231-1237 [PMID:2724296]
ChEMBL Inhibition of (R)-N6-([3H]-phenylisopropyl) adenosine binding to adenosine A1 receptor from rat cortical membranes B 4.89 pKi 13000 nM Ki J Med Chem (1992) 35: 2342-2345 [PMID:1613758]
ChEMBL Binding affinity towards adenosine A1 receptor in rat forebrain membranes using N6-[3H]cyclohexyladenosine B 5.01 pKi 9700 nM Ki J Med Chem (1992) 35: 3066-3075 [PMID:1501234]
ChEMBL Displacement of [3H]CPX from adenosine A1 receptor of rat brain cortical membrane B 5.04 pKi 9200 nM Ki J Med Chem (1991) 34: 1202-1206 [PMID:2002461]
GtoPdb - - 5.06 pKi 8740 nM Ki Drug Dev Res (1999) : 45-53;
J Med Chem (1993) 36: 3341-9 [PMID:8230124]
ChEMBL Inhibition of 1 nM [3H]- N6 -(phenylisopropyl) adenosine binding to Adenosine A1 receptor in rat fat cell membrane B 5.06 pKi 8700 nM Ki J Med Chem (1989) 32: 1231-1237 [PMID:2724296]
ChEMBL Binding affinity against adenosine A1 receptor using [3H]-CHA or [3H]PIA as radioligand B 5.07 pKi 8500 nM Ki J Med Chem (1992) 35: 407-422 [PMID:1738138]
ChEMBL Inhibition of [3H]CHA binding to Adenosine A1 receptor in rat brain membranes B 5.07 pKi 8500 nM Ki J Med Chem (1990) 33: 1708-1713 [PMID:2342066]
ChEMBL Inhibition of rat recombinant adenosine A1 receptor B 5.07 pKi 8500 nM Ki J Med Chem (2014) 57: 3623-3650 [PMID:24164628]
ChEMBL Binding affinity against Adenosine A1 receptor in rat brain membrane, using [3H]N6-cyclohexyladenosine as the radioligand B 5.07 pKi 8500 nM Ki J Med Chem (1989) 32: 2247-2254 [PMID:2795597]
ChEMBL Binding affinity to rat adenosine A1 receptor B 5.07 pKi 8500 nM Ki J Med Chem (2009) 52: 3994-4006 [PMID:19569717]
ChEMBL Displacement of [3H]PIA from adenosine A1 receptors of rat brain membrane B 5.07 pKi 8500 nM Ki J Med Chem (1994) 37: 3373-3382 [PMID:7932565]
ChEMBL Tested for binding affinity against Adenosine A1 receptor from rat forebrain membranes, using N6-[3H]- cyclohexyladenosine as radioligand B 5.07 pKi 8470 nM Ki J Med Chem (1993) 36: 2508-2518 [PMID:8355252]
ChEMBL Binding affinity towards adenosine A1 receptor in rat whole brain membranes using N6-[3H]cyclohexyladenosine B 5.07 pKi 8470 nM Ki J Med Chem (1992) 35: 3066-3075 [PMID:1501234]
ChEMBL Binding affinity against Adenosine A1 receptor using N6-[3H]-cyclohexyladenosinene in rat whole brain membranes B 5.07 pKi 8470 nM Ki J Med Chem (1992) 35: 924-930 [PMID:1548682]
ChEMBL Inhibition of binding of 1 nM [3H]N-6-(phenylisopropyl)adenosine to adenosine A1 receptor in rat cortical membranes B 5.07 pKi 8470 nM Ki J Med Chem (1989) 32: 1873-1879 [PMID:2754711]
ChEMBL Inhibition of N6-[3H]cyclohexyladenosine binding to adenosine A1 receptor from whole brain membranes B 5.07 pKi 8470 nM Ki J Med Chem (1992) 35: 2342-2345 [PMID:1613758]
ChEMBL In vitro binding affinity to Adenosine A1 receptor of rat cerebral cortical membranes using 1 nM [3H]PIA B 5.13 pKi 7400 nM Ki J Med Chem (1988) 31: 2034-2039 [PMID:3172141]
ChEMBL Binding affinity of specific [3H]R-PIA binding to rat Adenosine A1 receptor in HEK293 cells B 5.16 pKi 6920 nM Ki J Med Chem (2002) 45: 2131-2138 [PMID:12014951]
ChEMBL Inhibition of [3H]-CHA binding to rat brain membrane Adenosine A1 receptor B 6.15 pKi 700 nM Ki J Med Chem (1990) 33: 3127-3130 [PMID:2258897]
ChEMBL Antagonism of adenosine A1 receptor assessed from the ability to inhibit binding of [3H]cyclohexyladenosine to rat cerebral cortical membranes B 4.55 pIC50 28000 nM IC50 J Med Chem (1984) 27: 1364-1367 [PMID:6090665]
ChEMBL Binding affinity against adenosine A1 receptor in rat brain membrane preparations using N6-[3H]cyclohexyladenosine as a radioligand B 4.7 pIC50 20000 nM IC50 J Med Chem (1987) 30: 91-96 [PMID:3806606]
ChEMBL Inhibition of adenosine binding to A1 receptor of rat brain homogenates B 4.72 pIC50 19000 nM IC50 J Med Chem (1994) 37: 476-485 [PMID:8120866]
ChEMBL Inhibition of binding towards adenosine A1 receptor using [3H]N-cyclohexyladenosine ([3H]CHA) in rat whole brain membranes. B 5 pIC50 >10000 nM IC50 J Med Chem (1988) 31: 1014-1020 [PMID:3361572]
Adenosine A1 receptor in Guinea pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2304404] [UniProtKB: P47745]
ChEMBL Binding affinity against adenosine A1 receptor from guinea pig forebrain membranes, using N6-[3H]cyclohexyladenosine as radioligand. B 4.64 pKi 23000 nM Ki J Med Chem (1992) 35: 2342-2345 [PMID:1613758]
ChEMBL Inhibition of N6-[3H]cyclohexyladenosine binding to guinea pig forebrain membrane Adenosine A1 receptor B 4.64 pKi 23000 nM Ki J Med Chem (1992) 35: 924-930 [PMID:1548682]
ChEMBL Binding affinity against Adenosine A1 receptor from guinea pig forebrain membranes by N6-[3H]- cyclohexyladenosine displacement. B 4.64 pKi 23000 nM Ki J Med Chem (1993) 36: 2508-2518 [PMID:8355252]
ChEMBL Binding affinity against adenosine A1 receptor in guinea pig forebrain membranes using N6-[3H]cyclohexyladenosine as radioligand B 4.64 pKi 23000 nM Ki J Med Chem (1992) 35: 3066-3075 [PMID:1501234]
ChEMBL Inhibition of [3H]cyclohexyladenosine binding to guinea pig forebrain membranes Adenosine A1 receptor B 4.64 pKi 23000 nM Ki J Med Chem (1991) 34: 466-469 [PMID:1992150]
ChEMBL Binding affinity against Adenosine A1 receptor using N6-[3H]cyclohexyladenosine in guinea pig membranes B 4.89 pKi 13000 nM Ki J Med Chem (1992) 35: 924-930 [PMID:1548682]
ChEMBL Affinity against adenosine A1 receptor in the brain membranes by the displacement of [3H]CPX. B 5.01 pKi 9800 nM Ki J Med Chem (1992) 35: 4039-4044 [PMID:1331453]
ChEMBL Binding affinity against adenosine A1 receptor of cerebral cortex using [3H]CPX as a radioligand B 5.01 pKi 9800 nM Ki J Med Chem (1993) 36: 1380-1386 [PMID:8496906]
A2A receptor/Adenosine A2a receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL251] [GtoPdb: 19] [UniProtKB: P29274]
ChEMBL Binding affinity to human wild type adenosine A2A receptor expressed in Expi293F cells assessed as dissociation constant by surface plasmon resonance assay B 5.44 pKd 3630 nM Kd ACS Med Chem Lett (2022) 13: 1172-1181 [PMID:35859869]
ChEMBL Displacement of [3H]ZM241385 from stabilized human adenosine receptor A2a expressed in HEK293 cells followed by receptor capturing on Biocore chips by SPR method B 5.5 pKd 3162.28 nM Kd J Med Chem (2011) 54: 4312-4323 [PMID:21661720]
ChEMBL The A2A-StaR2 receptor has been purified from membranes in n-decyl-beta-D-maltoside as detergent. Then it has been reconstituted into rHDLs membrane discs.Ligands were prepared over a five-fold concentration series and injected in either a multi- or a single-cycle format depending on the kinetic parameters of the ligand. The actual concentrations as well as contact and dissociation times varied between the ligands depended on the kinetics and affinity of the interaction. The data were fitted to a 1:1 interaction model using the kinetics evaluation software from Biacore. A minimum of three measurements were recorded for each interaction. B 5.78 pKd 1642.33 nM Kd K4DD drug target binding kinetics data
ChEMBL Affinity to A2 adenosine receptor was measured by the displacement of [3H]-CGS- 21680 in bovine brain striatal membrane B 4.6 pKi 25000 nM Ki J Med Chem (1994) 37: 2970-2975 [PMID:8071944]
ChEMBL Displacement of [3H]-CGS- 21680 from adenosine A2A receptor in bovine striatal membranes. B 4.68 pKi 21000 nM Ki J Med Chem (2000) 43: 3118-3124 [PMID:10956220]
ChEMBL Displacement of [3H]CGS 21680 from adenosine A2A receptor in bovine striatal membranes B 4.68 pKi 21000 nM Ki J Med Chem (2006) 49: 3916-3925 [PMID:16789747]
ChEMBL Displacement of [3H]CGS 21680 from adenosine A2A receptor in bovine striatal membranes B 4.68 pKi 21000 nM Ki J Med Chem (2005) 48: 7932-7945 [PMID:16335918]
ChEMBL Displacement of [3H]-CGS- 21680 from adenosine A2a receptor of bovine striatal membranes B 4.68 pKi 21000 nM Ki J Med Chem (2004) 47: 3580-3590 [PMID:15214785]
ChEMBL Displacement of [3H]ZM241385 from human recombinant adenosine A2A receptor expressed in in human HeLa cell membrane B 4.73 pKi 18500 nM Ki Bioorg Med Chem (2010) 18: 2081-2088 [PMID:20202853]
ChEMBL Displacement of [3H]ZM241385 from stabilized human adenosine receptor A2a expressed in HEK293 cells followed by receptor capturing on Biocore chips by SPR method B 5 pKi >10000 nM Ki J Med Chem (2011) 54: 4312-4323 [PMID:21661720]
ChEMBL Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells B 5.1 pKi 7900 nM Ki J Med Chem (2006) 49: 3916-3925 [PMID:16789747]
ChEMBL Displacement of [3H]NECA from cloned human adenosine A2A receptor expressed in CHO cells B 5.1 pKi 7900 nM Ki J Med Chem (2005) 48: 7932-7945 [PMID:16335918]
ChEMBL Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells B 5.1 pKi 7900 nM Ki J Med Chem (2007) 50: 4061-4074 [PMID:17665891]
ChEMBL Displacement of [3H]NECA from human cloned adenosine A2A receptor expressed in CHO cells B 5.1 pKi 7900 nM Ki J Med Chem (2009) 52: 2407-2419 [PMID:19301821]
ChEMBL Displacement of [125I]NECA from human cloned adenosine A2A receptor expressed in CHO cells B 5.1 pKi 7900 nM Ki Bioorg Med Chem (2008) 16: 6086-6102 [PMID:18468446]
ChEMBL DRUGMATRIX: Adenosine A2A radioligand binding (ligand: AB-MECA) B 5.17 pKi 6741 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL Binding affinity to human adenosine A2A receptor B 5.17 pKi 6700 nM Ki Bioorg Med Chem (2010) 18: 2195-2203 [PMID:20188574]
ChEMBL Displacement of [3H]ZM-241385 from human adenosine A2a receptor expressed in HEK cells B 5.17 pKi 6700 nM Ki J Med Chem (2006) 49: 3682-3692 [PMID:16759111]
ChEMBL Binding affinity to human adenosine A2A receptor B 5.17 pKi 6700 nM Ki Bioorg Med Chem (2013) 21: 7435-7452 [PMID:24139167]
ChEMBL Binding affinity to human adenosine A2A receptor B 5.38 pKi 4200 nM Ki J Med Chem (2009) 52: 3994-4006 [PMID:19569717]
ChEMBL Competitive binding affinity to human adenosine A2A receptor expressed in HEK293 cells after 60 mins by fluorescence polarization assay in presence of MRS5346 B 5.69 pKi 2030 nM Ki Bioorg Med Chem Lett (2013) 23: 26-36 [PMID:23200243]
ChEMBL Antagonist activity at adenosine A2A receptor (unknown origin) F 5.77 pKi 1710 nM Ki Eur J Med Chem (2022) 227: 113907-113907 [PMID:34695776]
ChEMBL Displacement of [3H]NECA from human adenosine receptor A2A expressed in CHO cell membranes by radioligand competition assay B 5.77 pKi 1710 nM Ki J Med Chem (2020) 63: 2577-2587 [PMID:31738058]
ChEMBL Displacement of [3H]MSX2 from human adenosine receptor A2A expressed in HEK293 cell membranes incubated for 30 mins by radioligand competition assay B 5.77 pKi 1710 nM Ki Eur J Med Chem (2020) 186: 111879-111879 [PMID:31780082]
ChEMBL Displacement of [3H]NECA from human A2A adenosine receptor expressed in CHO cells B 5.77 pKi 1710 nM Ki Medchemcomm (2016) 7: 845-852
ChEMBL Binding affinity to human adenosine A2A receptor by radioligand displacement assay B 5.77 pKi 1710 nM Ki Medchemcomm (2018) 9: 951-962 [PMID:30108984]
ChEMBL Displacement of [3H]CGS21680 from human adenosine A2A receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting analysis B 5.77 pKi 1700 nM Ki Bioorg Med Chem Lett (2013) 23: 26-36 [PMID:23200243]
GtoPdb - - 5.8 pKi - - - Naunyn Schmiedebergs Arch Pharmacol (1998) 357: 1-9 [PMID:9459566];
Biochem Pharmacol (2005) 70: 1601-12 [PMID:16219300];
Br J Pharmacol (1997) 121: 353-60 [PMID:9179373];
Drug Dev Res (1999) : 45-53
ChEMBL Binding affinity for adenosine A2a receptor by using as [3H]ZM-241385 radioligand in membranes from HEK-A2A cells B 9.22 pKi 0.6 nM Ki Bioorg Med Chem Lett (2005) 15: 609-612 [PMID:15664822]
ChEMBL DRUGMATRIX: Adenosine A2A radioligand binding (ligand: AB-MECA) B 4.92 pIC50 12007 nM IC50 DrugMatrix in vitro pharmacology data
ChEMBL Relaxant activity on the spontaneous tone of isolated guinea pig tracheal ring chains. F 4.55 pEC50 28200 nM EC50 J Med Chem (1992) 35: 4039-4044 [PMID:1331453]
A2A receptor/Adenosine A2a receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL302] [GtoPdb: 19] [UniProtKB: P30543]
ChEMBL Binding affinity to rat adenosine A2A receptor B 4.6 pKi 25000 nM Ki J Med Chem (2009) 52: 3994-4006 [PMID:19569717]
ChEMBL Inhibition of rat recombinant adenosine receptor A2a B 4.6 pKi 25000 nM Ki J Med Chem (2014) 57: 3623-3650 [PMID:24164628]
ChEMBL Displacement of [3H]-CGS- 21680 from adenosine A2a receptors of rat striatal membrane B 4.6 pKi 25000 nM Ki J Med Chem (1994) 37: 3373-3382 [PMID:7932565]
ChEMBL Displacement of [3H]MSX2 from adenosine receptor A2A in rat brain striatum membranes incubated for 30 mins by radioligand competition assay B 4.66 pKi 22000 nM Ki Eur J Med Chem (2020) 186: 111879-111879 [PMID:31780082]
ChEMBL Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain striatal membrane B 4.66 pKi 22000 nM Ki J Nat Prod (1998) 61: 301-305 [PMID:9514015]
ChEMBL Binding affinity to rat adenosine A2A receptor B 4.66 pKi 22000 nM Ki Bioorg Med Chem (2010) 18: 2195-2203 [PMID:20188574]
ChEMBL Binding affinity to rat adenosine A2A receptor B 4.66 pKi 22000 nM Ki Bioorg Med Chem (2013) 21: 7435-7452 [PMID:24139167]
GtoPdb - - 4.66 pKi 22000 nM Ki Drug Dev Res (1999) : 45-53;
J Med Chem (1993) 36: 3341-9 [PMID:8230124]
ChEMBL Ability to inhibit binding of [3H]NECA to Adenosine A2A receptor in rat brain striatal membranes B 4.72 pKi 19000 nM Ki J Med Chem (1997) 40: 4396-4405 [PMID:9435909]
ChEMBL Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat brain striatal membranes. B 5.03 pKi 9400 nM Ki J Med Chem (1997) 40: 4396-4405 [PMID:9435909]
ChEMBL Binding affinity for adenosine A2A receptor from rat brain membranes using [3H]CGS-21680 B 5.1 pKi 8000 nM Ki J Med Chem (1993) 36: 2639-2644 [PMID:8410976]
ChEMBL Binding affinity at rat Adenosine A2A receptor by [3H]-CGS- 21680 displacement. B 5.17 pKi 6700 nM Ki J Med Chem (2002) 45: 2131-2138 [PMID:12014951]
Adenosine A2a receptor in Guinea pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2605] [UniProtKB: P46616]
ChEMBL Affinity against adenosine A2 receptor in the brain membranes measured by the displacement of [3H]-CPX B 4.78 pKi 16600 nM Ki J Med Chem (1992) 35: 4039-4044 [PMID:1331453]
ChEMBL Compound was evaluated for its ability to antagonise cyclic [3H]AMP accumulation in [3H]adenine-labeled guinea pig cerebral cortical slices. F 4.85 pKi 14000 nM Ki J Med Chem (1986) 29: 1305-1308 [PMID:3806581]
ChEMBL Antagonism of cyclic [3H]AMP accumulation in guinea pig cerebral cortical slices (elicited by 15 uM 2-chloroadenosine at adenosine A2 receptor) F 4.85 pKi 14000 nM Ki J Med Chem (1985) 28: 487-492 [PMID:2984420]
ChEMBL Antagonist binding of N6-cyclohexyl-[3H]-adenosine to guinea pig brain B 4.89 pKi 13000 nM Ki J Med Chem (1982) 25: 197-207 [PMID:6279840]
A2B receptor/Adenosine A2b receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL255] [GtoPdb: 20] [UniProtKB: P29275]
GtoPdb - - 5.04 pKi 9070 nM Ki Biochem Pharmacol (2005) 70: 1601-12 [PMID:16219300];
Biochem Pharmacol (2001) 62: 1163-73 [PMID:11705449];
J Med Chem (2002) 45: 2131-8 [PMID:12014951];
Purinergic Signal (2006) 2: 559-71 [PMID:18404493]
ChEMBL Antagonist activity at adenosine A2B receptor (unknown origin) F 5.04 pKi 9070 nM Ki Eur J Med Chem (2022) 227: 113907-113907 [PMID:34695776]
ChEMBL Displacement of [125I]-ABOPX from human recombinant Adenosine A2B receptor expressed in HEK293 cells after 3 hrs B 5.04 pKi 9070 nM Ki J Med Chem (2016) 59: 1967-1983 [PMID:26824742]
ChEMBL Binding affinity to human adenosine A2B receptor by radioligand displacement assay B 5.04 pKi 9070 nM Ki Medchemcomm (2018) 9: 951-962 [PMID:30108984]
ChEMBL Displacement of [3H]PSB-603 from human adenosine receptor A2B expressed in CHO cell membranes incubated for 75 mins by radioligand competition assay B 5.04 pKi 9070 nM Ki Eur J Med Chem (2020) 186: 111879-111879 [PMID:31780082]
ChEMBL Binding affinity at human Adenosine A2B receptor expressed in HEK293 cells, using [125I]ABOPX as radioligand B 5.04 pKi 9070 nM Ki J Med Chem (2002) 45: 2131-2138 [PMID:12014951]
ChEMBL Antagonist activity against human Adenosine A2b receptor F 5.04 pKi 9070 nM Ki J Med Chem (2005) 48: 6813-6820 [PMID:16250640]
ChEMBL Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells B 5.04 pKi 9070 nM Ki J Med Chem (2006) 49: 3682-3692 [PMID:16759111]
ChEMBL Binding affinity to human adenosine A2B receptor B 5.04 pKi 9070 nM Ki Bioorg Med Chem (2010) 18: 2195-2203 [PMID:20188574]
ChEMBL Antagonist activity against human adenosine A2B receptor F 5.04 pKi 9070 nM Ki Eur J Med Chem (2010) 45: 3459-3471 [PMID:20537438]
ChEMBL Binding affinity to human adenosine A2B receptor B 5.04 pKi 9070 nM Ki Bioorg Med Chem (2013) 21: 7435-7452 [PMID:24139167]
ChEMBL Displacement of [125I]ABOPX from human adenosine receptor A2b expressed in HEK293 cell membranes after 3 hrs by fluorescence assay B 5.05 pKi 9000 nM Ki Eur J Med Chem (2017) 127: 986-996 [PMID:27842891]
ChEMBL Binding affinity to human adenosine A2B receptor B 5.11 pKi 7850 nM Ki J Med Chem (2009) 52: 3994-4006 [PMID:19569717]
ChEMBL Binding affinity for adenosine A2b receptor by using as [3H]ZM-241385 radioligand in membranes from HEK-A2B cells B 5.15 pKi 7059 nM Ki Bioorg Med Chem Lett (2005) 15: 609-612 [PMID:15664822]
ChEMBL Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cell membrane B 5.57 pKi 2700 nM Ki Bioorg Med Chem (2010) 18: 2081-2088 [PMID:20202853]
A2B receptor in Mouse [GtoPdb: 20] [UniProtKB: Q60614]
GtoPdb - - 5.25 pKi 5630 nM Ki J Pharmacol Exp Ther (2009) 329: 2-13 [PMID:19141710]
A2B receptor/Adenosine A2b receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2592] [GtoPdb: 20] [UniProtKB: P29276]
ChEMBL Inhibition of [125I]-APOBX binding to rat Adenosine A2B receptor expressed in HEK cells B 4.82 pKi 15100 nM Ki J Med Chem (2002) 45: 2131-2138 [PMID:12014951]
ChEMBL Binding affinity to rat adenosine A2B receptor B 4.82 pKi 15100 nM Ki J Med Chem (2009) 52: 3994-4006 [PMID:19569717]
ChEMBL Binding affinity to rat adenosine A2B receptor B 4.82 pKi 15100 nM Ki Bioorg Med Chem (2010) 18: 2195-2203 [PMID:20188574]
A3 receptor/Adenosine A3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL256] [GtoPdb: 21] [UniProtKB: P0DMS8]
ChEMBL Displacement of [3H]HEMADO from human adenosine receptor A3 expressed in CHO cell membranes by radioligand competition assay B 4.06 pKi 86400 nM Ki J Med Chem (2020) 63: 2577-2587 [PMID:31738058]
ChEMBL Binding affinity against human adenosine A3 receptor expressed in CHO cells by [125I]AB-MECA displacement. B 4.07 pKi 86000 nM Ki J Med Chem (2004) 47: 3580-3590 [PMID:15214785]
ChEMBL Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells. B 4.07 pKi 86000 nM Ki J Med Chem (2000) 43: 3118-3124 [PMID:10956220]
ChEMBL Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells B 4.07 pKi 86000 nM Ki J Med Chem (2005) 48: 7932-7945 [PMID:16335918]
ChEMBL Binding affinity towards human adenosine A3 receptor expressed in HEK293 cells using [125I]AB-MECA at 1 uM B 4.07 pKi 86000 nM Ki J Med Chem (2000) 43: 1158-1164 [PMID:10737748]
ChEMBL Displacement of [125I]AB-MECA from human cloned adenosine A3 receptor expressed in CHO cells B 4.07 pKi 86000 nM Ki Bioorg Med Chem (2008) 16: 6086-6102 [PMID:18468446]
ChEMBL Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells B 4.07 pKi 86000 nM Ki J Med Chem (2006) 49: 3916-3925 [PMID:16789747]
ChEMBL Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells B 4.07 pKi 86000 nM Ki J Med Chem (2007) 50: 4061-4074 [PMID:17665891]
ChEMBL Displacement of [125I]AB-MECA from human cloned adenosine A3 receptor expressed in CHO cells B 4.07 pKi 86000 nM Ki J Med Chem (2009) 52: 2407-2419 [PMID:19301821]
ChEMBL Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in human HeLa cell membrane B 4.07 pKi 85100 nM Ki Bioorg Med Chem (2010) 18: 2081-2088 [PMID:20202853]
ChEMBL Binding affinity to human adenosine A3 receptor B 4.28 pKi 52300 nM Ki J Med Chem (2009) 52: 3994-4006 [PMID:19569717]
ChEMBL Competitive binding affinity to human adenosine A3 receptor expressed in CHO cells after 90 mins by flow cytometric analysis in presence of MRS5449 B 4.53 pKi 29400 nM Ki Bioorg Med Chem Lett (2013) 23: 26-36 [PMID:23200243]
GtoPdb - - 4.65 pKi 22300 nM Ki Naunyn Schmiedebergs Arch Pharmacol (1998) 357: 1-9 [PMID:9459566];
Drug Dev Res (1999) : 45-53
ChEMBL Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells B 4.65 pKi 22300 nM Ki J Med Chem (2006) 49: 3682-3692 [PMID:16759111]
ChEMBL Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells after 90 mins by gamma counting analysis B 4.65 pKi 22300 nM Ki Bioorg Med Chem Lett (2013) 23: 26-36 [PMID:23200243]
ChEMBL Binding affinity to human adenosine A3 receptor B 4.65 pKi 22300 nM Ki Bioorg Med Chem (2013) 21: 7435-7452 [PMID:24139167]
ChEMBL Binding affinity to human adenosine A3 receptor by radioligand displacement assay B 4.65 pKi 22300 nM Ki Medchemcomm (2018) 9: 951-962 [PMID:30108984]
ChEMBL Antagonist activity at adenosine A3 receptor (unknown origin) F 4.65 pKi 22300 nM Ki Eur J Med Chem (2022) 227: 113907-113907 [PMID:34695776]
ChEMBL Binding affinity to human adenosine A3 receptor B 4.65 pKi 22300 nM Ki Bioorg Med Chem (2010) 18: 2195-2203 [PMID:20188574]
ChEMBL Displacement of [3H]PSB-11 from human adenosine receptor A3 expressed in CHO cell membranes incubated for 60 mins by radioligand competition assay B 4.65 pKi 22300 nM Ki Eur J Med Chem (2020) 186: 111879-111879 [PMID:31780082]
ChEMBL Binding affinity for adenosine A3 receptor by displacement of specific binding of [125I]AB-MECA in membranes from CHO-A3 cells B 7.85 pKi 14 nM Ki Bioorg Med Chem Lett (2005) 15: 609-612 [PMID:15664822]
A3 receptor/Adenosine A3 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3360] [GtoPdb: 21] [UniProtKB: P28647]
ChEMBL Binding affinity to rat adenosine A3 receptor B 4 pKi 100000 nM Ki J Med Chem (2009) 52: 3994-4006 [PMID:19569717]
ChEMBL Displacement of [3H]NECA from rat adenosine receptor A3 expressed in CHO cell membranes incubated for 60 mins by radioligand competition assay B 4 pKi >100000 nM Ki Eur J Med Chem (2020) 186: 111879-111879 [PMID:31780082]
GtoPdb - - 4.07 pKi 85000 nM Ki Mol Pharmacol (1994) 45: 1101-11 [PMID:8022403];
Bioconjug Chem (1995) 6: 255-63 [PMID:7632796]
ChEMBL Binding affinity to rat adenosine A3 receptor B 4.07 pKi 85000 nM Ki Bioorg Med Chem (2010) 18: 2195-2203 [PMID:20188574]
Alkaline phosphatase, tissue-nonspecific isozyme in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5979] [UniProtKB: P05186]
ChEMBL Inhibition of TNSALP B 4.09 pKi 82000 nM Ki Bioorg Med Chem Lett (2009) 19: 222-225 [PMID:19038545]
ChEMBL Inhibition of human TNAP expressed in COS7 cells preincubated for 5 to 7 mins followed by CDP-star substrate addition measured after 15 to 20 mins by luminescence assay B 4 pIC50 >100000 nM IC50 Eur J Med Chem (2018) 144: 116-127 [PMID:29268128]
ChEMBL Inhibition of TNAP by analogous luminescence assay B 5.3 pIC50 >5000 nM IC50 Bioorg Med Chem (2010) 18: 573-579 [PMID:20031422]
CYP3A4/Cytochrome P450 3A4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL340] [GtoPdb: 1337] [UniProtKB: P08684]
ChEMBL null: A commercially available P450-GLO Assay kit (Promega Corporation, Madison Wis.) is used to screen various compounds for CYP3A4A inhibition activity. CYP3A4A is thought to be one of the primary CYP isoforms responsible for retinoic acid metabolism in the skin. Three benchmark agents, liarozole, climbazole, and ketoconazole, were assessed for CYP3A4 inhibition to confirm that the inhibition activity (the IC50 for CYP3A4 inhibition) measured by the assay corresponds to the activity reported by the published literature. The results show that the substituted azole compounds having the specific structure set forth herein are CYP inhibitors, and thus function as RAMBAs. B 5 pIC50 >10000 nM IC50 US-9138393-B2. Cosmetic compositions containing substituted azole and methods for improving the appearance of aging skin (2015)
ChEMBL In vitro CYP3A4 Inhibition Assay: Cytochrome P450 is a large and diverse group of enzymes that catalyze the oxidation of organic substances. Some members of the CYP family contribute to the elimination of ATRA by catalyzing its 4-hydroxylation in the mammalian liver and skin, including that of humans as well as swine. Applicant evaluated the potential RAMBA activity of several azoles using pig liver microsomes, a rich source of CYP activity, comprising many different CYP 450 isoforms. Therefore, this approach, while a reasonable way to assess CYP inhibitors with broad activities may or may not be the best way to discover RAMBAs with selectivity for the skin, which has a much more narrow complement of CYP expression. As understanding in this area has progressed, a more specific CYP inhibition assay can be used to provide better predictivity of activity in human skin. Nevertheless, this assay may still be used as a general predictor of overall CYP activity. B 5 pIC50 >10000 nM IC50 US-9144538-B2. Cosmetic compositions containing substituted azole and methods for alleviating the signs of photoaged skin (2015)
Intestinal alkaline phosphatase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5573] [UniProtKB: P09923]
ChEMBL Inhibition of IAP by analogous luminescence assay B 5.3 pIC50 >5000 nM IC50 Bioorg Med Chem (2010) 18: 573-579 [PMID:20031422]
Phosphodiesterase 3B in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5129] [UniProtKB: E1BN64]
ChEMBL Inhibition of bovine heart phosphodiesterase B 4.11 pKi 77000 nM Ki J Med Chem (1982) 25: 420-426 [PMID:6279846]
ChEMBL Inhibition of bovine heart phosphodiesterase B 4.05 pIC50 90000 nM IC50 J Med Chem (1982) 25: 420-426 [PMID:6279846]
Phospholipase A-2-activating protein in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6114] [UniProtKB: Q9Y263]
ChEMBL Inhibition of PLAP by analogous luminescence assay B 5.3 pIC50 >5000 nM IC50 Bioorg Med Chem (2010) 18: 573-579 [PMID:20031422]
phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit delta/PI3-kinase p110-delta subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3130] [GtoPdb: 2155] [UniProtKB: O00329]
ChEMBL Inhibition of PI3Kdelta (unknown origin) B 4.12 pIC50 75000 nM IC50 Medchemcomm (2012) 3: 1337-1355
Transmembrane domain-containing protein TMIGD3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3712907] [UniProtKB: P0DMS9]
ChEMBL Displacement of [3H]HEMADO from human A3 adenosine receptor expressed in CHO cells B 4.06 pKi 86400 nM Ki Medchemcomm (2016) 7: 845-852

ChEMBL data shown on this page come from version 35:

Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]