BDBM50112532 2-[1-(4-Chloro-benzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-(2-hydroxy-1,1-dimethyl-ethyl)-acetamide::CHEMBL433427

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

InChI Key: InChIKey=MBLSUSPJGSASBD-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50112532   

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))	BDBM50112532 (2-[1-(4-Chloro-benzoyl)-5-methoxy-2-methyl-1H-indo...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NC(C)(C)CO)c2c1 Show InChI InChI=1S/C23H25ClN2O4/c1-14-18(12-21(28)25-23(2,3)13-27)19-11-17(30-4)9-10-20(19)26(14)22(29)15-5-7-16(24)8-6-15/h5-11,27H,12-13H2,1-4H3,(H,25,28)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	800	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
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM50112532 (2-[1-(4-Chloro-benzoyl)-5-methoxy-2-methyl-1H-indo...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NC(C)(C)CO)c2c1 Show InChI InChI=1S/C23H25ClN2O4/c1-14-18(12-21(28)25-23(2,3)13-27)19-11-17(30-4)9-10-20(19)26(14)22(29)15-5-7-16(24)8-6-15/h5-11,27H,12-13H2,1-4H3,(H,25,28)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Inhibitory concentration against ovine Prostaglandin G/H synthase 1 (COX-1)				J Med Chem 48: 3613-20 (2005) Article DOI: 10.1021/jm0494164 BindingDB Entry DOI: 10.7270/Q2J102PQ
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50112532 (2-[1-(4-Chloro-benzoyl)-5-methoxy-2-methyl-1H-indo...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NC(C)(C)CO)c2c1 Show InChI InChI=1S/C23H25ClN2O4/c1-14-18(12-21(28)25-23(2,3)13-27)19-11-17(30-4)9-10-20(19)26(14)22(29)15-5-7-16(24)8-6-15/h5-11,27H,12-13H2,1-4H3,(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Inhibitory concentration against human Prostaglandin G/H synthase 2 (COX-2)				J Med Chem 48: 3613-20 (2005) Article DOI: 10.1021/jm0494164 BindingDB Entry DOI: 10.7270/Q2J102PQ
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50112532 (2-[1-(4-Chloro-benzoyl)-5-methoxy-2-methyl-1H-indo...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NC(C)(C)CO)c2c1 Show InChI InChI=1S/C23H25ClN2O4/c1-14-18(12-21(28)25-23(2,3)13-27)19-11-17(30-4)9-10-20(19)26(14)22(29)15-5-7-16(24)8-6-15/h5-11,27H,12-13H2,1-4H3,(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	190	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