BDBM22953 2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl-1H-indol-3-yl}-N-(2-hydroxyethyl)acetamide::CHEMBL24415::Indomethacin derivative, 6

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

InChI Key: InChIKey=JHOVCAXRUUWNJL-UHFFFAOYSA-N

Data: 6 IC50

PDB links: 2 PDB IDs contain this monomer as substructures. 2 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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 6 hits for monomerid = 22953   

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
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM22953 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCCO)c2c1 Show InChI InChI=1S/C21H21ClN2O4/c1-13-17(12-20(26)23-9-10-25)18-11-16(28-2)7-8-19(18)24(13)21(27)14-3-5-15(22)6-4-14/h3-8,11,25H,9-10,12H2,1-2H3,(H,23,26)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>6.60E+4	n/a	n/a	n/a	n/a	8.0	37
Vanderbilt University School of Medicine					Assay Description For the time-dependent inhibition studies, COX enzyme was incubated with test compounds for 20 min and then analyzed for remaining COX activity by tr...				Proc Natl Acad Sci U S A 97: 925-30 (2000) Article DOI: 10.1073/pnas.97.2.925 BindingDB Entry DOI: 10.7270/Q2XP736G
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM22953 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCCO)c2c1 Show InChI InChI=1S/C21H21ClN2O4/c1-13-17(12-20(26)23-9-10-25)18-11-16(28-2)7-8-19(18)24(13)21(27)14-3-5-15(22)6-4-14/h3-8,11,25H,9-10,12H2,1-2H3,(H,23,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	37
Vanderbilt University School of Medicine					Assay Description For the time-dependent inhibition studies, COX enzyme was incubated with test compounds for 20 min and then analyzed for remaining COX activity by tr...				Proc Natl Acad Sci U S A 97: 925-30 (2000) Article DOI: 10.1073/pnas.97.2.925 BindingDB Entry DOI: 10.7270/Q2XP736G
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM22953 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCCO)c2c1 Show InChI InChI=1S/C21H21ClN2O4/c1-13-17(12-20(26)23-9-10-25)18-11-16(28-2)7-8-19(18)24(13)21(27)14-3-5-15(22)6-4-14/h3-8,11,25H,9-10,12H2,1-2H3,(H,23,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibitory concentration against human prostaglandin G/H synthase 2				Bioorg Med Chem Lett 12: 1315-8 (2002) BindingDB Entry DOI: 10.7270/Q2S75FNZ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM22953 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCCO)c2c1 Show InChI InChI=1S/C21H21ClN2O4/c1-13-17(12-20(26)23-9-10-25)18-11-16(28-2)7-8-19(18)24(13)21(27)14-3-5-15(22)6-4-14/h3-8,11,25H,9-10,12H2,1-2H3,(H,23,26)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>6.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description In vitro inhibitory activity against ovine Prostaglandin G/H synthase 1 (44 nM) using [14C]AA (50 uM) was determined				J Med Chem 43: 2860-70 (2000) BindingDB Entry DOI: 10.7270/Q22806VP
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM22953 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCCO)c2c1 Show InChI InChI=1S/C21H21ClN2O4/c1-13-17(12-20(26)23-9-10-25)18-11-16(28-2)7-8-19(18)24(13)21(27)14-3-5-15(22)6-4-14/h3-8,11,25H,9-10,12H2,1-2H3,(H,23,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description In vitro inhibitory activity against human Prostaglandin G/H synthase 2 (66 nM) using [14C]-AA (50 uM) was determined				J Med Chem 43: 2860-70 (2000) BindingDB Entry DOI: 10.7270/Q22806VP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM22953 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCCO)c2c1 Show InChI InChI=1S/C21H21ClN2O4/c1-13-17(12-20(26)23-9-10-25)18-11-16(28-2)7-8-19(18)24(13)21(27)14-3-5-15(22)6-4-14/h3-8,11,25H,9-10,12H2,1-2H3,(H,23,26)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>6.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibitory concentration against prostaglandin G/H synthase 1				Bioorg Med Chem Lett 12: 1315-8 (2002) BindingDB Entry DOI: 10.7270/Q2S75FNZ
					More data for this Ligand-Target Pair