rolofylline [Ligand Id: 5604] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL52333 (KW 3902, Rolofylline, KW-3902, MK-7418)
  • A1 receptor/Adenosine A1 receptor in Human [ChEMBL: CHEMBL226] [GtoPdb: 18] [UniProtKB: P30542]
  • Adenosine A1 receptor in Bovine [ChEMBL: CHEMBL4975] [UniProtKB: P28190]
  • A1 receptor/Adenosine A1 receptor in Mouse [ChEMBL: CHEMBL3688] [GtoPdb: 18] [UniProtKB: Q60612]
  • A1 receptor/Adenosine A1 receptor in Rat [ChEMBL: CHEMBL318] [GtoPdb: 18] [UniProtKB: P25099]
  • Adenosine A1 receptor in Guinea pig [ChEMBL: CHEMBL2304404] [UniProtKB: P47745]
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  • 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]
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  • A2B receptor/Adenosine A2b receptor in Human [ChEMBL: CHEMBL255] [GtoPdb: 20] [UniProtKB: P29275]
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  • A3 receptor/Adenosine A3 receptor in Human [ChEMBL: CHEMBL256] [GtoPdb: 21] [UniProtKB: P0DMS8]
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  • Organic anion transporter 4/Solute carrier family 22 member 11 in Human [ChEMBL: CHEMBL2073677] [GtoPdb: 1030] [UniProtKB: Q9NSA0]
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  • Organic anion transporter 1/Solute carrier family 22 member 6 in Human [ChEMBL: CHEMBL1641347] [GtoPdb: 1025] [UniProtKB: Q4U2R8]
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  • Organic anion transporter 3/Solute carrier family 22 member 8 in Human [ChEMBL: CHEMBL1641348] [GtoPdb: 1027] [UniProtKB: Q8TCC7]
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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 The A1-StaR receptor has been purified from membranes in n-decyl-beta-D-maltoside as detergent. 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. B 7.94 pKd 11.38 nM Kd K4DD drug target binding kinetics data
GtoPdb - - 9.14 pKi 0.72 nM Ki J Med Chem (2006) 49: 7119-31 [PMID:17125264];
J Med Chem (1997) 40: 1773-8 [PMID:9191953]
ChEMBL Inhibition of binding to membranes from HEK293 cells expressing human Adenosine A1 receptor B 9.14 pKi 0.72 nM Ki J. Med. Chem. (1997) 40: 1773-1778 [PMID:9191953]
ChEMBL Binding affinity to human adenosine A1 receptor by radioligand displacement assay B 9.14 pKi 0.72 nM Ki MedChemComm (2018) 9: 951-962
ChEMBL Binding affinity to human adenosine A1 receptor B 9.53 pKi 0.29 nM Ki Bioorg. Med. Chem. (2010) 18: 2195-2203 [PMID:20188574]
Adenosine A1 receptor in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4975] [UniProtKB: P28190]
ChEMBL Binding affinity at bovine Adenosine A1 receptor. B 9.72 pKi 0.19 nM Ki J. Med. Chem. (2002) 45: 4875-4887 [PMID:12383013]
A1 receptor/Adenosine A1 receptor in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3688] [GtoPdb: 18] [UniProtKB: Q60612]
ChEMBL Binding affinity to mouse adenosine A1 receptor B 9.84 pKi 0.14 nM Ki Bioorg. Med. Chem. (2010) 18: 2195-2203 [PMID:20188574]
A1 receptor/Adenosine A1 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL318] [GtoPdb: 18] [UniProtKB: P25099]
ChEMBL Binding affinity for Adenosine A1 receptor of rat forebrain B 7.9 pKi 12.6 nM Ki J. Med. Chem. (1997) 40: 1773-1778 [PMID:9191953]
ChEMBL Binding affinity against adenosine A1 receptor using [3H]-CHA or [3H]PIA as radioligand B 8.89 pKi 1.3 nM Ki J. Med. Chem. (1992) 35: 407-422 [PMID:1738138]
GtoPdb - - 9.72 pKi 0.19 nM Ki J Med Chem (1997) 40: 1773-8 [PMID:9191953]
ChEMBL Binding affinity towards adenosine A1 receptor in rat forebrain membranes using N6-[3H]cyclohexyladenosine B 9.72 pKi 0.19 nM Ki J. Med. Chem. (1992) 35: 3066-3075 [PMID:1501234]
ChEMBL Binding affinity to rat adenosine A1 receptor B 9.72 pKi 0.19 nM Ki Bioorg. Med. Chem. (2010) 18: 2195-2203 [PMID:20188574]
Adenosine A1 receptor in Guinea pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2304404] [UniProtKB: P47745]
ChEMBL Binding affinity against adenosine A1 receptor in guinea pig forebrain membranes using N6-[3H]cyclohexyladenosine as radioligand B 8.89 pKi 1.3 nM Ki J. Med. Chem. (1992) 35: 3066-3075 [PMID:1501234]
ChEMBL Binding affinity towards adenosine A1 receptor using N6-[3H]cyclohexyladenosine in guinea pig forebrain membranes B 8.89 pKi 1.3 nM Ki J. Med. Chem. (1992) 35: 3578-3581 [PMID:1404238]
ChEMBL Binding affinity against adenosine A1 receptor using N6-[3H]cyclohexyladenosine as radioligand in guinea pig forebrain membranes B 8.89 pKi 1.3 nM Ki J. Med. Chem. (1992) 35: 924-930 [PMID:1548682]
ChEMBL Binding affinity for Adenosine A1 receptor from Guinea pig membranes B 8.96 pKi 1.1 nM Ki J. Med. Chem. (1997) 40: 1773-1778 [PMID:9191953]
ChEMBL Binding affinity to guinea pig adenosine A1 receptor B 8.96 pKi 1.1 nM Ki Bioorg. Med. Chem. (2010) 18: 2195-2203 [PMID:20188574]
A2A receptor/Adenosine A2a receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL251] [GtoPdb: 19] [UniProtKB: P29274]
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 6.88 pKd 131.15 nM Kd K4DD drug target binding kinetics data
ChEMBL The A2A-StaR2 receptor has been purified from membranes in n-decyl-beta-D-maltoside as detergent. 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 7.46 pKd 34.81 nM Kd K4DD drug target binding kinetics data
ChEMBL Binding affinity to human adenosine A2A receptor by radioligand displacement assay B 6.97 pKi 108 nM Ki MedChemComm (2018) 9: 951-962
GtoPdb - - 6.97 pKi 108 nM Ki J Biol Chem (2003) 278: 51630-7 [PMID:14532289];
J Med Chem (2006) 49: 7119-31 [PMID:17125264]
A2A receptor/Adenosine A2a receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL302] [GtoPdb: 19] [UniProtKB: P30543]
GtoPdb - - 6.42 pKi 380 nM Ki J Med Chem (1997) 40: 1773-8 [PMID:9191953];
Bioorg Med Chem (2006) 14: 3654-61 [PMID:16458010]
ChEMBL Binding affinity to rat adenosine A2A receptor B 6.77 pKi 170 nM Ki Bioorg. Med. Chem. (2010) 18: 2195-2203 [PMID:20188574]
Adenosine A2a receptor in Guinea pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2605] [UniProtKB: P46616]
ChEMBL Binding affinity to guinea pig adenosine A2A receptor B 6.64 pKi 230 nM Ki Bioorg. Med. Chem. (2010) 18: 2195-2203 [PMID:20188574]
A2B receptor/Adenosine A2b receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL255] [GtoPdb: 20] [UniProtKB: P29275]
GtoPdb - - 6.53 pKi 296 nM Ki J Med Chem (2006) 49: 7119-31 [PMID:17125264]
ChEMBL Binding affinity to human adenosine A2B receptor by radioligand displacement assay B 6.57 pKi 269 nM Ki MedChemComm (2018) 9: 951-962
A3 receptor/Adenosine A3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL256] [GtoPdb: 21] [UniProtKB: P0DMS8]
ChEMBL Binding affinity to human adenosine A3 receptor by radioligand displacement assay B 5.36 pKi 4390 nM Ki MedChemComm (2018) 9: 951-962
GtoPdb - - 5.36 pKi 4390 nM Ki J Med Chem (2006) 49: 7119-31 [PMID:17125264]
Organic anion transporter 4/Solute carrier family 22 member 11 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2073677] [GtoPdb: 1030] [UniProtKB: Q9NSA0]
ChEMBL TP_TRANSPORTER: inhibition of E1S uptake in OAT4-expressing S2 cells F 4.68 pKi 20700 nM Ki J. Pharmacol. Exp. Ther. (2002) 301: 797-802 [PMID:12023506]
Organic anion transporter 1/Solute carrier family 22 member 6 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1641347] [GtoPdb: 1025] [UniProtKB: Q4U2R8]
ChEMBL TP_TRANSPORTER: inhibition of PAH uptake in OAT1-expressing S2 cells F 5.11 pKi 7820 nM Ki Eur. J. Pharmacol. (2001) 419: 113-120 [PMID:11426832]
Organic anion transporter 3/Solute carrier family 22 member 8 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1641348] [GtoPdb: 1027] [UniProtKB: Q8TCC7]
ChEMBL TP_TRANSPORTER: inhibition of E1S uptake in OAT3-expressing S2 cells F 5.43 pKi 3700 nM Ki Eur. J. Pharmacol. (2001) 419: 113-120 [PMID:11426832]

ChEMBL data shown on this page come from version 28:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, CibriƔn-Uhalte E, Davies M, Dedman N, Karlsson A, MagariƱos MP, Overington JP, Papadatos G, Smit I, Leach AR. (2017) 'The ChEMBL database in 2017.' Nucleic Acids Res., 45(D1). DOI: 10.1093/nar/gkw1074. [PMCID:5210557]