BDBM50029074 2-{1-[(4-chlorophenyl)carbonyl]-5-hydroxy-2-methylindol-3-yl}acetic acid::CHEMBL6::DESMETHYL INDOMETHACIN::[1-(4-Chloro-benzoyl)-5-hydroxy-2-methyl-1H-indol-3-yl]-acetic acid::[1-(4-Chloro-benzoyl)-5-hydroxy-2-methyl-1H-indol-3-yl]-acetic acid( Indomethacin)

SMILES: Cc1c(CC(O)=O)c2cc(O)ccc2n1C(=O)c1ccc(Cl)cc1

InChI Key: InChIKey=KMLNWQPYFBIALN-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50029074   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50029074 (2-{1-[(4-chlorophenyl)carbonyl]-5-hydroxy-2-methyl...) Show SMILES Cc1c(CC(O)=O)c2cc(O)ccc2n1C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H14ClNO4/c1-10-14(9-17(22)23)15-8-13(21)6-7-16(15)20(10)18(24)11-2-4-12(19)5-3-11/h2-8,21H,9H2,1H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.56E+4	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
					More data for this Ligand-Target Pair
Aldose reductase (ALR2) (Bos taurus (Cattle))	BDBM50029074 (2-{1-[(4-chlorophenyl)carbonyl]-5-hydroxy-2-methyl...) Show SMILES Cc1c(CC(O)=O)c2cc(O)ccc2n1C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H14ClNO4/c1-10-14(9-17(22)23)15-8-13(21)6-7-16(15)20(10)18(24)11-2-4-12(19)5-3-11/h2-8,21H,9H2,1H3,(H,22,23)	PDB GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.20E+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) BindingDB Entry DOI: 10.7270/Q2N0177X
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50029074 (2-{1-[(4-chlorophenyl)carbonyl]-5-hydroxy-2-methyl...) Show SMILES Cc1c(CC(O)=O)c2cc(O)ccc2n1C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H14ClNO4/c1-10-14(9-17(22)23)15-8-13(21)6-7-16(15)20(10)18(24)11-2-4-12(19)5-3-11/h2-8,21H,9H2,1H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	MMDB Article PubMed	n/a	n/a	5.00E+3	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
					More data for this Ligand-Target Pair