BindingDB PrimarySearch

BDBM17638 2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl-1H-indol-3-yl}acetic acid::CHEMBL6::Indocin::Indomethacin::US9271961, Indomethacin::indometacin

SMILES: COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1

InChI Key: InChIKey=CGIGDMFJXJATDK-UHFFFAOYSA-N

Data: 59 KI 327 IC50 2 Kd 3 EC50

PDB links: 24 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 390 hits for monomerid = 17638
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
RWTH Aachen University Curated by ChEMBL					Assay Description Inhibition of human platelet COX1 using arachidonic acid as substrate preincubated for 15 mins before arachidonic acid addition measured after 15 min...				Bioorg Med Chem Lett 22: 4307-9 (2012) Article DOI: 10.1016/j.bmcl.2012.05.018 BindingDB Entry DOI: 10.7270/Q2416Z6R
RWTH Aachen University Curated by ChEMBL					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as inhibition of PGE2 formation from PGH2 after 15 mins by RP-HPLC a...				J Med Chem 55: 8958-62 (2012) Article DOI: 10.1021/jm3010543 BindingDB Entry DOI: 10.7270/Q20Z74FD
Eberhard Karls University Curated by ChEMBL					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Hyderabad Campus Curated by ChEMBL					Assay Description Inhibition of ovine COX1 using arachidonic acid as substrate incubated for 1 min prior to substrate addition measured for 25 secs by TMPD-based chrom...				Bioorg Med Chem Lett 22: 6745-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.082 BindingDB Entry DOI: 10.7270/Q2C82BCM
University of Hyderabad Campus Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
University of Hyderabad Campus Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 expressed in insect cells using arachidonic acid as substrate incubated for 1 min prior to substrate addition me...				Bioorg Med Chem Lett 22: 6745-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.082 BindingDB Entry DOI: 10.7270/Q2C82BCM
University of Hyderabad Campus Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclooxygenase (Bos taurus)	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for its inhibitory activity against PGS (prostaglandin synthetase).				Bioorg Med Chem Lett 3: 2087-2092 (1993) Article DOI: 10.1016/S0960-894X(01)81022-2 BindingDB Entry DOI: 10.7270/Q2G73F6K
TBA Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin E synthase/G/H synthase 2 (Homo sapiens (Human))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	<200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre For Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of Prostaglandin G/H synthase 2 in human whole blood (HWB) assay				Bioorg Med Chem Lett 9: 1715-20 (1999) Article DOI: 10.1016/s0960-894x(99)00264-4 BindingDB Entry DOI: 10.7270/Q2BV7FSP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclooxygenase (Homo sapiens (Human))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against human whole cells (CHO) Prostaglandin G/H synthase 2				Bioorg Med Chem Lett 9: 1773-8 (1999) Article DOI: 10.1016/s0960-894x(99)00288-7 BindingDB Entry DOI: 10.7270/Q2QJ7HT8
					More data for this Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2 (Homo sapiens (Human))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against human whole blood Prostaglandin G/H synthase 2				Bioorg Med Chem Lett 9: 1773-8 (1999) Article DOI: 10.1016/s0960-894x(99)00288-7 BindingDB Entry DOI: 10.7270/Q2QJ7HT8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed, Inc. Curated by ChEMBL					Assay Description Inhibition of COX1 in human whole blood assessed as effect on A23187-induced thromboxane B2 production				J Med Chem 50: 6367-82 (2007) Article DOI: 10.1021/jm0611861 BindingDB Entry DOI: 10.7270/Q2RJ4K9J
NitroMed, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed, Inc. Curated by ChEMBL					Assay Description Inhibition of COX2 in human whole blood assessed as effect on LPS-induced thromboxane B2 production				J Med Chem 50: 6367-82 (2007) Article DOI: 10.1021/jm0611861 BindingDB Entry DOI: 10.7270/Q2RJ4K9J
NitroMed, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dehydrogenase/reductase SDR family member 9 (Homo sapiens (Human))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Natural Product Research and Infection Biology Curated by ChEMBL					Assay Description Inhibition of 3alphaHSD				Bioorg Med Chem Lett 17: 2558-60 (2007) Article DOI: 10.1016/j.bmcl.2007.02.008 BindingDB Entry DOI: 10.7270/Q2HD7WHJ
					More data for this Ligand-Target Pair
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Natural Product Research and Infection Biology Curated by ChEMBL					Assay Description Inhibition of COX1				Bioorg Med Chem Lett 17: 2558-60 (2007) Article DOI: 10.1016/j.bmcl.2007.02.008 BindingDB Entry DOI: 10.7270/Q2HD7WHJ
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	7.71E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Natural Product Research and Infection Biology Curated by ChEMBL					Assay Description Inhibition of COX2				Bioorg Med Chem Lett 17: 2558-60 (2007) Article DOI: 10.1016/j.bmcl.2007.02.008 BindingDB Entry DOI: 10.7270/Q2HD7WHJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclooxygenase (RAT)	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Rorer Central Research Curated by ChEMBL					Assay Description Invitro inhibition of polymorphonuclear leukocyte derived human 5-lipoxygenase				J Med Chem 32: 1836-42 (1989) Article DOI: 10.1021/jm00128a027 BindingDB Entry DOI: 10.7270/Q2VT1R21
Rorer Central Research Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen Receptor (Homo sapiens (Human))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.140	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Agonist activity at androgen receptor (unknown origin) expressed in HeLa cells co-expressing PSA-(ARE)4-Luc13 assessed as induction of DHT-induced lu...				J Med Chem 56: 2429-46 (2013) Article DOI: 10.1021/jm3017656 BindingDB Entry DOI: 10.7270/Q2X92CMG
Vanderbilt University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclooxygenase-2 (COX-2) (Mus musculus (Mouse))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of wild type mouse COX2 by discontinuous radioactive TLC assay				J Med Chem 56: 2429-46 (2013) Article DOI: 10.1021/jm3017656 BindingDB Entry DOI: 10.7270/Q2X92CMG
Vanderbilt University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of ovine COX1 by discontinuous radioactive TLC assay				J Med Chem 56: 2429-46 (2013) Article DOI: 10.1021/jm3017656 BindingDB Entry DOI: 10.7270/Q2X92CMG
Vanderbilt University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of COX1 (unknown origin)-mediated oxidation of N,N,N,Ntetramethyl-1,4-phenylenediamine using arachidonic acid as substrate by colorimetric...				J Med Chem 56: 2429-46 (2013) Article DOI: 10.1021/jm3017656 BindingDB Entry DOI: 10.7270/Q2X92CMG
Vanderbilt University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C2 (Homo sapiens (Human))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3.65E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human recombinant AKR1C2-mediated NADP+-dependent oxidation of S-(+)-1,2,3,4-tetrahydro-1-naphthol				J Med Chem 56: 2429-46 (2013) Article DOI: 10.1021/jm3017656 BindingDB Entry DOI: 10.7270/Q2X92CMG
Vanderbilt University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3) (Homo sapiens (Human))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human recombinant AKR1C3-mediated NADP+-dependent oxidation of S-(+)-1,2,3,4-tetrahydro-1-naphthol				J Med Chem 56: 2429-46 (2013) Article DOI: 10.1021/jm3017656 BindingDB Entry DOI: 10.7270/Q2X92CMG
Vanderbilt University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Solute carrier family 22 member 6 (Homo sapiens (Human))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of Adefovir uptake in OAT1-expressing CHO cells				J Pharmacol Exp Ther 295: 10-5 (2000) BindingDB Entry DOI: 10.7270/Q2TB186W
Gilead Sciences Curated by ChEMBL					More data for this Ligand-Target Pair
Multidrug and toxin extrusion protein 1 (Homo sapiens (Human))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay				J Med Chem 56: 781-95 (2013) Article DOI: 10.1021/jm301302s BindingDB Entry DOI: 10.7270/Q2F76DWZ
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of COX1				J Nat Prod 68: 985-91 (2005) Article DOI: 10.1021/np049655u BindingDB Entry DOI: 10.7270/Q27S7PN5
Uppsala University Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of COX2				J Nat Prod 68: 985-91 (2005) Article DOI: 10.1021/np049655u BindingDB Entry DOI: 10.7270/Q27S7PN5
Uppsala University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclooxygenase (Homo sapiens (Human))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.65E+5	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of COX2-catalyzed prostaglandin biosynthesis after 10 mins of preincubation				J Nat Prod 61: 1212-5 (1998) Article DOI: 10.1021/np980088i BindingDB Entry DOI: 10.7270/Q26W9BZJ
Uppsala University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of COX1-catalyzed prostaglandin biosynthesis 10 mins of preincubation				J Nat Prod 61: 1212-5 (1998) Article DOI: 10.1021/np980088i BindingDB Entry DOI: 10.7270/Q26W9BZJ
Uppsala University Curated by ChEMBL					More data for this Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human MRP1 in human 2008 cells				Bioorg Med Chem Lett 18: 4761-3 (2008) Article DOI: 10.1016/j.bmcl.2008.07.127 BindingDB Entry DOI: 10.7270/Q2QZ2BWB
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2) (Homo sapiens (Human))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.35E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human MRP2 expressed in dog MDCK2 cells				Bioorg Med Chem Lett 18: 4761-3 (2008) Article DOI: 10.1016/j.bmcl.2008.07.127 BindingDB Entry DOI: 10.7270/Q2QZ2BWB
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclooxygenase (Bos taurus)	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of bovine seminal microsomal COX1 assessed as PGE2 production				J Nat Prod 61: 2-7 (1998) Article DOI: 10.1021/np970343j BindingDB Entry DOI: 10.7270/Q2JS9RBH
Uppsala University Curated by ChEMBL					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2) (Ovis aries (Sheep))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.71E+6	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of sheep placental cotyledons COX2 assessed as PGE2 production				J Nat Prod 61: 2-7 (1998) Article DOI: 10.1021/np970343j BindingDB Entry DOI: 10.7270/Q2JS9RBH
Uppsala University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclooxygenase (Bos taurus)	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of bovine seminal microsomal COX1 assessed as PGE2 production preincubated for 10 mins				J Nat Prod 61: 2-7 (1998) Article DOI: 10.1021/np970343j BindingDB Entry DOI: 10.7270/Q2JS9RBH
Uppsala University Curated by ChEMBL					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2) (Ovis aries (Sheep))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.64E+5	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of sheep placental cotyledons COX2 assessed as PGE2 production preincubated for 10 mins				J Nat Prod 61: 2-7 (1998) Article DOI: 10.1021/np970343j BindingDB Entry DOI: 10.7270/Q2JS9RBH
Uppsala University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclooxygenase (Bos taurus)	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of bovine seminal vesicle microsomal COX1-mediated prostaglandin production				J Nat Prod 61: 8-12 (1998) Article DOI: 10.1021/np970198+ BindingDB Entry DOI: 10.7270/Q2F190NX
Uppsala University Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclooxygenase-2 (COX-2) (Mus musculus (Mouse))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
King's College London Curated by ChEMBL					Assay Description Inhibition of mouse COX2				Bioorg Med Chem 18: 2204-18 (2010) Article DOI: 10.1016/j.bmc.2010.01.070 BindingDB Entry DOI: 10.7270/Q27945MJ
King's College London Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Graduate School of Medicine Curated by ChEMBL					Assay Description Inhibition of COX1				J Med Chem 51: 2400-11 (2008) Article DOI: 10.1021/jm701191z BindingDB Entry DOI: 10.7270/Q2Z0391M
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Graduate School of Medicine Curated by ChEMBL					Assay Description Inhibition of COX2				J Med Chem 51: 2400-11 (2008) Article DOI: 10.1021/jm701191z BindingDB Entry DOI: 10.7270/Q2Z0391M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldose reductase (ALR2) (Bos taurus (Cattle))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES Show InChI	PDB GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of Aldose reductase (AR)				J Med Chem 44: 1718-28 (2001) Article DOI: 10.1021/jm000483h BindingDB Entry DOI: 10.7270/Q2N0177X
Sankyo Co., Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2 (Homo sapiens (Human))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibitory potency of the compound against PGE-2 production in the human whole blood (HWB COX-2) assay				Bioorg Med Chem Lett 9: 3187-92 (1999) Article DOI: 10.1016/s0960-894x(99)00560-0 BindingDB Entry DOI: 10.7270/Q2KK9B09
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclooxygenase (Bos taurus)	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of H-Ras-mediated farnesylation expressed in mouse NIH3T3 cells				J Med Chem 25: 446-51 (1982) Article DOI: 10.1021/jm00346a022 BindingDB Entry DOI: 10.7270/Q28P62QH
TBA Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclooxygenase (Bos taurus)	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antiparasitic activity of the compound against thiamine transporter of Eimeria tenella				J Med Chem 27: 1317-21 (1984) Article DOI: 10.1021/jm00376a016 BindingDB Entry DOI: 10.7270/Q25T3NPD
TBA Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclooxygenase (Bos taurus)	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of prostaglandin G/H synthase obtained from bovine seminal vesicles.				J Med Chem 27: 1379-88 (1984) Article DOI: 10.1021/jm00377a001 BindingDB Entry DOI: 10.7270/Q2222X0V
TBA Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclooxygenase (RAT)	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of Prostaglandin G/H synthase in intact RBL-1 cell line				J Med Chem 33: 2070-2 (1990) Article DOI: 10.1021/jm00170a004 BindingDB Entry DOI: 10.7270/Q2RJ4HGZ
Warner-Lambert Company Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of ram seminal vesicle COX1 assessed as PGE2 production by enzyme immunoassay				J Nat Prod 74: 1779-86 (2011) Article DOI: 10.1021/np200343t BindingDB Entry DOI: 10.7270/Q26974ND
University of Innsbruck Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille-Nord de France Curated by ChEMBL					Assay Description Inhibition of COX1 in human whole blood				Bioorg Med Chem 18: 3910-24 (2010) Article DOI: 10.1016/j.bmc.2010.04.034 BindingDB Entry DOI: 10.7270/Q28K7B16
Universit£ Lille-Nord de France Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille-Nord de France Curated by ChEMBL					Assay Description Inhibition of COX2 in human whole blood				Bioorg Med Chem 18: 3910-24 (2010) Article DOI: 10.1016/j.bmc.2010.04.034 BindingDB Entry DOI: 10.7270/Q28K7B16
Universit£ Lille-Nord de France Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclooxygenase (Homo sapiens (Human))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille-Nord de France Curated by ChEMBL					Assay Description Inhibition of COX2 in human whole blood assessed as inhibition of 12-hydroxyheptadecatrienoic acid production by HPLC method				Bioorg Med Chem 18: 3910-24 (2010) Article DOI: 10.1016/j.bmc.2010.04.034 BindingDB Entry DOI: 10.7270/Q28K7B16
Universit£ Lille-Nord de France Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille-Nord de France Curated by ChEMBL					Assay Description Inhibition of COX1 in human whole blood assessed as inhibition of 12-hydroxyheptadecatrienoic acid production by HPLC method				Bioorg Med Chem 18: 3910-24 (2010) Article DOI: 10.1016/j.bmc.2010.04.034 BindingDB Entry DOI: 10.7270/Q28K7B16
Universit£ Lille-Nord de France Curated by ChEMBL					More data for this Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3) (Homo sapiens (Human))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human recombinant AKR1C3 expressed in Escherichia coli JM109 cells using S-tetralol as substrate by fluorometry				J Nat Prod 75: 716-21 (2012) Article DOI: 10.1021/np201002x BindingDB Entry DOI: 10.7270/Q2Z320P2
Gifu Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member C4 (AK1C4) (Homo sapiens (Human))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged AKR1C4 expressed in Escherichia coli using S-tetralol as substrate by fluorometry				J Nat Prod 75: 716-21 (2012) Article DOI: 10.1021/np201002x BindingDB Entry DOI: 10.7270/Q2Z320P2
Gifu Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C1 (Homo sapiens (Human))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged AKR1C1 expressed in Escherichia coli using S-tetralol as substrate by fluorometry				J Nat Prod 75: 716-21 (2012) Article DOI: 10.1021/np201002x BindingDB Entry DOI: 10.7270/Q2Z320P2
Gifu Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)

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