indomethacin [Ligand Id: 1909] 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: CHEMBL6 (Imbrilon, Ledmecin, Rimacid, Indomethacin, Indolar, Indocin, Indocid Ret, Indolar SR, Flexin-75 Continus, Indocin SR, Indoptol, Indoflex, Slo-Indo, Pardelprin MR, Indoderm, Maximet Sr, Tivorbex, Indotard MR 75, Indomax-25, Flexin-50 Continus, Rheumacin LA, Artracin, Indo-Paed, Flexin-25 Continus, Indometacin, Artracin Sr, Berlind 75 Ret, Indometacin Farnesil, NSC-77541, Indomod, Indo-Lemmon, Indomax-75 Sr, Mobilan, Indocid-R)
  • Aldo-keto reductase family 1 member C1 in Human [ChEMBL: CHEMBL5905] [UniProtKB: Q04828]
There should be some charts here, you may need to enable JavaScript!
  • Aldo-keto reductase family 1 member C2 in Human [ChEMBL: CHEMBL5847] [UniProtKB: P52895]
There should be some charts here, you may need to enable JavaScript!
  • AKR1C3/Aldo-keto-reductase family 1 member C3 in Human [ChEMBL: CHEMBL4681] [GtoPdb: 1382] [UniProtKB: P42330]
There should be some charts here, you may need to enable JavaScript!
  • Aldo-keto reductase family 1 member C4 in Human [ChEMBL: CHEMBL4999] [UniProtKB: P17516]
There should be some charts here, you may need to enable JavaScript!
  • aldo-keto reductase family 1 member B/Aldose reductase in Human [ChEMBL: CHEMBL1900] [GtoPdb: 2768] [UniProtKB: P15121]
  • Aldose reductase in Bovine [ChEMBL: CHEMBL3081] [UniProtKB: P16116]
  • aldo-keto reductase family 1 member B/Aldose reductase in Rat [ChEMBL: CHEMBL2622] [GtoPdb: 2768] [UniProtKB: P07943]
There should be some charts here, you may need to enable JavaScript!
  • Androgen receptor/Androgen Receptor in Human [ChEMBL: CHEMBL1871] [GtoPdb: 628] [UniProtKB: P10275]
There should be some charts here, you may need to enable JavaScript!
  • 5-LOX/Arachidonate 5-lipoxygenase in Human [ChEMBL: CHEMBL215] [GtoPdb: 1385] [UniProtKB: P09917]
  • 5-LOX/Arachidonate 5-lipoxygenase in Rat [ChEMBL: CHEMBL312] [GtoPdb: 1385] [UniProtKB: P12527]
There should be some charts here, you may need to enable JavaScript!
  • CB1 receptor/Cannabinoid CB1 receptor in Human [ChEMBL: CHEMBL218] [GtoPdb: 56] [UniProtKB: P21554]
There should be some charts here, you may need to enable JavaScript!
  • CB2 receptor/Cannabinoid CB2 receptor in Human [ChEMBL: CHEMBL253] [GtoPdb: 57] [UniProtKB: P34972]
There should be some charts here, you may need to enable JavaScript!
There should be some charts here, you may need to enable JavaScript!
There should be some charts here, you may need to enable JavaScript!
  • Cytochrome c oxidase subunit 2 in Human [ChEMBL: CHEMBL6174] [UniProtKB: P00403]
There should be some charts here, you may need to enable JavaScript!
  • cPLA2-4C/Cytosolic phospholipase A2 gamma in Human [ChEMBL: CHEMBL4834] [GtoPdb: 1426] [UniProtKB: Q9UP65]
There should be some charts here, you may need to enable JavaScript!
  • Dehydrogenase/reductase SDR family member 9 in Human [ChEMBL: CHEMBL5974] [UniProtKB: Q9BPW9]
There should be some charts here, you may need to enable JavaScript!
  • epidermal growth factor receptor/Epidermal growth factor receptor erbB1 in Human [ChEMBL: CHEMBL203] [GtoPdb: 1797] [UniProtKB: P00533]
There should be some charts here, you may need to enable JavaScript!
  • epoxide hydrolase 2/Epoxide hydratase in Human [ChEMBL: CHEMBL2409] [GtoPdb: 2970] [UniProtKB: P34913]
There should be some charts here, you may need to enable JavaScript!
There should be some charts here, you may need to enable JavaScript!
  • DP2 receptor/G protein-coupled receptor 44 in Human [ChEMBL: CHEMBL5071] [GtoPdb: 339] [UniProtKB: Q9Y5Y4]
  • DP2 receptor in Mouse [GtoPdb: 339] [UniProtKB: Q9Z2J6]
There should be some charts here, you may need to enable JavaScript!
There should be some charts here, you may need to enable JavaScript!
  • ABCC1/Multidrug resistance-associated protein 1 in Human [ChEMBL: CHEMBL3004] [GtoPdb: 779] [UniProtKB: P33527]
There should be some charts here, you may need to enable JavaScript!
  • Inducible NOS/Nitric oxide synthase, inducible in Mouse [ChEMBL: CHEMBL3464] [GtoPdb: 1250] [UniProtKB: P29477]
There should be some charts here, you may need to enable JavaScript!
  • Peroxisome proliferator-activated receptor-γ/Peroxisome proliferator-activated receptor gamma in Human [ChEMBL: CHEMBL235] [GtoPdb: 595] [UniProtKB: P37231]
There should be some charts here, you may need to enable JavaScript!
There should be some charts here, you may need to enable JavaScript!
There should be some charts here, you may need to enable JavaScript!
  • L-PGDS/Prostaglandin-H2 D-isomerase in Mouse [ChEMBL: CHEMBL4334] [GtoPdb: 1380] [UniProtKB: O09114]
There should be some charts here, you may need to enable JavaScript!
  • DP1 receptor/Prostanoid DP receptor in Mouse [ChEMBL: CHEMBL3933] [GtoPdb: 338] [UniProtKB: P70263]
There should be some charts here, you may need to enable JavaScript!
  • EP1 receptor/Prostanoid EP1 receptor in Mouse [ChEMBL: CHEMBL2181] [GtoPdb: 340] [UniProtKB: P35375]
There should be some charts here, you may need to enable JavaScript!
  • EP2 receptor/Prostanoid EP2 receptor in Mouse [ChEMBL: CHEMBL2488] [GtoPdb: 341] [UniProtKB: Q62053]
There should be some charts here, you may need to enable JavaScript!
  • EP3 receptor/Prostanoid EP3 receptor in Mouse [ChEMBL: CHEMBL4336] [GtoPdb: 342] [UniProtKB: P30557]
There should be some charts here, you may need to enable JavaScript!
  • EP4 receptor/Prostanoid EP4 receptor in Mouse [ChEMBL: CHEMBL2489] [GtoPdb: 343] [UniProtKB: P32240]
There should be some charts here, you may need to enable JavaScript!
  • Organic anion transporter 1/Solute carrier family 22 member 6 in Human [ChEMBL: CHEMBL1641347] [GtoPdb: 1025] [UniProtKB: Q4U2R8]
  • Organic anion transporter 1/Solute carrier family 22 member 6 in Rat [ChEMBL: CHEMBL1777665] [GtoPdb: 1025] [UniProtKB: O35956]
There should be some charts here, you may need to enable JavaScript!
  • Organic anion transporter 3/Solute carrier family 22 member 8 in Human [ChEMBL: CHEMBL1641348] [GtoPdb: 1027] [UniProtKB: Q8TCC7]
There should be some charts here, you may need to enable JavaScript!
There should be some charts here, you may need to enable JavaScript!
  • GPR17/Uracil nucleotide/cysteinyl leukotriene receptor in Human [ChEMBL: CHEMBL1075162] [GtoPdb: 88] [UniProtKB: Q13304]
There should be some charts here, you may need to enable JavaScript!
  • Proton-coupled folate transporter in Human [GtoPdb: 1213] [UniProtKB: Q96NT5]
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
Aldo-keto reductase family 1 member C1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5905] [UniProtKB: Q04828]
ChEMBL Discontinuous Radiometric Assay: Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in E. coli. In each case, a discontinuous radiometric assay may be used to monitor the inhibition of progesterone reduction (20-ketosteroid reduction) catalyzed by AKR1C1, the inhibition of Δ4-AD reduction (17-ketosteroid reduction) catalyzed by AKR1C3, and the inhibition of 5α-DHT reduction (3-ketosteroid reduction) catalyzed by AKR1C2 and AKR1C4 (by measuring the formation of 20α-hydroxyprogesterone, testosterone or 3α-androstanediol by radiochromatography). Secondary screens of the compounds of interest include: (a) a full-screen against all nine human recombinant AKR enzymes to ensure there are no-intended off-target effects (in this context AKR1B10 (retinal reductase; SEQ ID NO:5) has been shown to be potently inhibited by N-phenylanthranilates) (Endo et al., 2010, Biol. Pharm. Bull. 33:886-90); (b) a screen against COX-1 and COX-2 to reaffirm that compounds do not act as NSAIDs; and (c) an expanded screen against other nuclear receptors (especially other steroid hormone receptors). B 4 pKi >100000 nM Ki US-9271961-B2. Bifunctional AKR1C3 inhibitors/androgen receptor modulators and methods of use thereof (2016)
ChEMBL Inhibition of human recombinant N-terminal His6-tagged AKR1C1 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-aza-benzo[de]anthracen-10-one as substrate after 1 hr by fluorimetric analysis B 4 pIC50 >100000 nM IC50 J. Med. Chem. (2012) 55: 7746-7758 [PMID:22877157]
Aldo-keto reductase family 1 member C2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5847] [UniProtKB: P52895]
ChEMBL Discontinuous Radiometric Assay: Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in E. coli. In each case, a discontinuous radiometric assay may be used to monitor the inhibition of progesterone reduction (20-ketosteroid reduction) catalyzed by AKR1C1, the inhibition of Δ4-AD reduction (17-ketosteroid reduction) catalyzed by AKR1C3, and the inhibition of 5α-DHT reduction (3-ketosteroid reduction) catalyzed by AKR1C2 and AKR1C4 (by measuring the formation of 20α-hydroxyprogesterone, testosterone or 3α-androstanediol by radiochromatography). Secondary screens of the compounds of interest include: (a) a full-screen against all nine human recombinant AKR enzymes to ensure there are no-intended off-target effects (in this context AKR1B10 (retinal reductase; SEQ ID NO:5) has been shown to be potently inhibited by N-phenylanthranilates) (Endo et al., 2010, Biol. Pharm. Bull. 33:886-90); (b) a screen against COX-1 and COX-2 to reaffirm that compounds do not act as NSAIDs; and (c) an expanded screen against other nuclear receptors (especially other steroid hormone receptors). B 4 pKi >100000 nM Ki US-9271961-B2. Bifunctional AKR1C3 inhibitors/androgen receptor modulators and methods of use thereof (2016)
ChEMBL Inhibition of human recombinant N-terminal His6-tagged AKR1C2 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-aza-benzo[de]anthracen-10-one as substrate after 1 hr by fluorimetric analysis B 4 pIC50 >100000 nM IC50 J. Med. Chem. (2012) 55: 7746-7758 [PMID:22877157]
ChEMBL Inhibition of human recombinant AKR1C2 expressed in Escherichia coli using S-tetralol as substrate by fluorometry B 4.12 pIC50 75000 nM IC50 J. Nat. Prod. (2012) 75: 716-721 [PMID:22506594]
ChEMBL Inhibition of human recombinant AKR1C2-mediated NADP+-dependent oxidation of S-(+)-1,2,3,4-tetrahydro-1-naphthol B 4.44 pIC50 36530 nM IC50 J. Med. Chem. (2013) 56: 2429-2446 [PMID:23432095]
AKR1C3/Aldo-keto-reductase family 1 member C3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4681] [GtoPdb: 1382] [UniProtKB: P42330]
ChEMBL Discontinuous Radiometric Assay: Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in E. coli. In each case, a discontinuous radiometric assay may be used to monitor the inhibition of progesterone reduction (20-ketosteroid reduction) catalyzed by AKR1C1, the inhibition of Δ4-AD reduction (17-ketosteroid reduction) catalyzed by AKR1C3, and the inhibition of 5α-DHT reduction (3-ketosteroid reduction) catalyzed by AKR1C2 and AKR1C4 (by measuring the formation of 20α-hydroxyprogesterone, testosterone or 3α-androstanediol by radiochromatography). Secondary screens of the compounds of interest include: (a) a full-screen against all nine human recombinant AKR enzymes to ensure there are no-intended off-target effects (in this context AKR1B10 (retinal reductase; SEQ ID NO:5) has been shown to be potently inhibited by N-phenylanthranilates) (Endo et al., 2010, Biol. Pharm. Bull. 33:886-90); (b) a screen against COX-1 and COX-2 to reaffirm that compounds do not act as NSAIDs; and (c) an expanded screen against other nuclear receptors (especially other steroid hormone receptors). B 5.09 pKi 8200 nM Ki US-9271961-B2. Bifunctional AKR1C3 inhibitors/androgen receptor modulators and methods of use thereof (2016)
ChEMBL Inhibition of human recombinant AKR1C3 expressed in Escherichia coli JM109 cells using S-tetralol as substrate by fluorometry B 5.39 pIC50 4100 nM IC50 J. Nat. Prod. (2012) 75: 716-721 [PMID:22506594]
ChEMBL Inhibition of AKR1C3 using 9,10-phenanthroquinone as substrate B 5.64 pIC50 2300 nM IC50 J. Med. Chem. (2012) 55: 7746-7758 [PMID:22877157]
ChEMBL Inhibition of human recombinant N-terminal His6-tagged AKR1C3 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-aza-benzo[de]anthracen-10-one as substrate after 1 hr by fluorimetric analysis B 6.14 pIC50 730 nM IC50 J. Med. Chem. (2012) 55: 7746-7758 [PMID:22877157]
ChEMBL Inhibition of human recombinant AKR1C3-mediated NADP+-dependent oxidation of S-(+)-1,2,3,4-tetrahydro-1-naphthol B 7 pIC50 100 nM IC50 J. Med. Chem. (2013) 56: 2429-2446 [PMID:23432095]
Aldo-keto reductase family 1 member C4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4999] [UniProtKB: P17516]
ChEMBL Inhibition of human recombinant N-terminal His6-tagged AKR1C4 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-aza-benzo[de]anthracen-10-one as substrate after 1 hr by fluorimetric analysis B 4 pIC50 >100000 nM IC50 J. Med. Chem. (2012) 55: 7746-7758 [PMID:22877157]
ChEMBL Inhibition of human recombinant GST-tagged AKR1C4 expressed in Escherichia coli using S-tetralol as substrate by fluorometry B 4.27 pIC50 54000 nM IC50 J. Nat. Prod. (2012) 75: 716-721 [PMID:22506594]
aldo-keto reductase family 1 member B/Aldose reductase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1900] [GtoPdb: 2768] [UniProtKB: P15121]
ChEMBL In vitro inhibition of rabbit lens aldose reductase. B 5.22 pIC50 6000 nM IC50 J. Med. Chem. (1986) 29: 2347-2351 [PMID:3097317]
Aldose reductase in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3081] [UniProtKB: P16116]
ChEMBL Inhibition of Aldose reductase (AR) B 5.3 pIC50 5000 nM IC50 J. Med. Chem. (2001) 44: 1718-1728 [PMID:11356107]
aldo-keto reductase family 1 member B/Aldose reductase in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2622] [GtoPdb: 2768] [UniProtKB: P07943]
ChEMBL DRUGMATRIX: Aldose Reductase enzyme inhibition (substrate: DL-Glyceraldehyde) B 5.44 pIC50 3631 nM IC50 DrugMatrix in vitro pharmacology data
Androgen receptor/Androgen Receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1871] [GtoPdb: 628] [UniProtKB: P10275]
ChEMBL Agonist activity at androgen receptor (unknown origin) expressed in HeLa cells co-expressing PSA-(ARE)4-Luc13 assessed as induction of DHT-induced luciferase activity after 20 mins by luciferase reporter gene assay B 9.85 pEC50 0.14 nM EC50 J. Med. Chem. (2013) 56: 2429-2446 [PMID:23432095]
5-LOX/Arachidonate 5-lipoxygenase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL215] [GtoPdb: 1385] [UniProtKB: P09917]
ChEMBL Inhibitory activity against 5-lipoxygenase in Human whole blood (HWBL) stimulated with calcium ionophore (A23187) and LTB4 measured by enzyme immunoassay F 5.15 pIC50 7000 nM IC50 J. Med. Chem. (1997) 40: 819-824 [PMID:9057869]
5-LOX/Arachidonate 5-lipoxygenase in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL312] [GtoPdb: 1385] [UniProtKB: P12527]
ChEMBL Compound was evaluated for its inhibitory activity against 5-LO (5-lipoxygenase) in intact RBL-1 cell line assay B 4 pIC50 >100000 nM IC50 Bioorg. Med. Chem. Lett. (1992) 2: 705-708
ChEMBL Tested for inhibition of 5-Lipoxygenase (ARBL) in calcium-stimulated rat basophilic leukemia cells(RBL-1) B 4 pIC50 >100000 nM IC50 Bioorg. Med. Chem. Lett. (1992) 2: 1655-1660
ChEMBL Inhibition of 5-lipoxygenase in intact RBL-1 cell line B 4 pIC50 >100000 nM IC50 J. Med. Chem. (1990) 33: 2070-2072 [PMID:2115586]
ChEMBL Inhibitory activity against 5-lipoxygenase of RBL-1 cell line B 4.6 pIC50 >25000 nM IC50 J. Med. Chem. (1992) 35: 3148-3155 [PMID:1507204]
ChEMBL Inhibition of 5-lipoxygenase in rat RBL-1 cells B 4.7 pIC50 >>20000 nM IC50 J. Med. Chem. (1990) 33: 1163-1170 [PMID:2319562]
ChEMBL Inhibitory activity against 5-lipoxygenase catalysis (5-LO) in sonicated rat basophilic leukemia cell lysate F 4.92 pIC50 12000 nM IC50 J. Med. Chem. (1997) 40: 819-824 [PMID:9057869]
CB1 receptor/Cannabinoid CB1 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL218] [GtoPdb: 56] [UniProtKB: P21554]
ChEMBL Evaluated for binding affinity against recombinant human central cannabinoid receptor 1 B 4.7 pKi >20000 nM Ki Bioorg. Med. Chem. Lett. (1996) 6: 2263-2268
CB2 receptor/Cannabinoid CB2 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL253] [GtoPdb: 57] [UniProtKB: P34972]
ChEMBL Evaluated for binding affinity against recombinant human peripheral cannabinoid receptor 2 B 4.7 pKi >20000 nM Ki Bioorg. Med. Chem. Lett. (1996) 6: 2263-2268
COX-1 /Cyclooxygenase-1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL221] [GtoPdb: 1375] [UniProtKB: P23219]
ChEMBL Binding affinity to COX1 (unknown origin) B 6.6 pKd 253 nM Kd Med Chem Res (2012) 21: 3491-3498
ChEMBL Inhibition of COX1 (unknown origin) B 4.9 pIC50 12500 nM IC50 Bioorg. Med. Chem. Lett. (2015) 25: 2931-2936 [PMID:26048794]
ChEMBL Inhibitory concentration against human recombinant Prostaglandin G/H synthase 1 cloned and expressed in baculovirus (Sf9) B 4.91 pIC50 12400 nM IC50 Bioorg. Med. Chem. Lett. (2001) 11: 1325-1328 [PMID:11392547]
ChEMBL Inhibition of COX1 in human platelet microsomes assessed as reduction in formation of oxidized TMPD using arachidonic acid as substrate preincubated for 3 to 5 mins followed by arachidonic acid addition measured for 25 secs by spectrophotometric assay B 4.92 pIC50 12160 nM IC50 ACS Med Chem Lett (2018) 9: 1045-1050 [PMID:30344915]
ChEMBL Inhibition of COX1 in human whole blood assessed as inhibition of 12-hydroxyheptadecatrienoic acid production by HPLC method B 5.22 pIC50 6000 nM IC50 Bioorg. Med. Chem. (2010) 18: 3910-3924 [PMID:20451397]
ChEMBL Inhibition of COX1 B 5.25 pIC50 5600 nM IC50 Bioorg. Med. Chem. Lett. (2007) 17: 2558-2560 [PMID:17346963]
ChEMBL Inhibition of COX1 by scintillation proximity assay B 5.41 pIC50 3900 nM IC50 J. Nat. Prod. (2002) 65: 1517-1521 [PMID:12444669]
ChEMBL Inhibition of COX1 (unknown origin) B 5.41 pIC50 3870 nM IC50 Bioorg Med Chem Lett (2017) 27: 1017-1025 [PMID:28089698]
ChEMBL Inhibition of COX1-catalyzed prostaglandin biosynthesis 10 mins of preincubation B 5.85 pIC50 1400 nM IC50 J. Nat. Prod. (1998) 61: 1212-1215 [PMID:9784154]
ChEMBL Inhibition of COX1-mediated PGD2 formation in LPS-stimulated human monocytes preincubated for 15 mins before arachidonic acid substrate addition measured after 30 mins by UPLC-MS/MS analysis B 5.92 pIC50 1200 nM IC50 J. Med. Chem. (2014) 57: 5638-5648 [PMID:24920381]
ChEMBL Inhibition of COX1-mediated PGF2alpha formation in LPS-stimulated human monocytes preincubated for 15 mins before arachidonic acid substrate addition measured after 30 mins by UPLC-MS/MS analysis B 5.92 pIC50 1200 nM IC50 J. Med. Chem. (2014) 57: 5638-5648 [PMID:24920381]
ChEMBL Inhibition of COX1 B 5.92 pIC50 1200 nM IC50 J. Nat. Prod. (1998) 61: 347-350 [PMID:9544564]
ChEMBL Inhibition of COX1 in human whole blood assessed as effect on A23187-induced thromboxane B2 production B 6.3 pIC50 500 nM IC50 J. Med. Chem. (2007) 50: 6367-6382 [PMID:17994684]
ChEMBL Inhibition of human platelet COX1 B 6.59 pIC50 260 nM IC50 Eur. J. Med. Chem. (2008) 43: 456-463 [PMID:17532544]