BDBM50112550 2-[1-(4-Chloro-benzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-(1-hydroxymethyl-3-methyl-butyl)-acetamide::CHEMBL28216

SMILES: COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@@H](CO)CC(C)C)c2c1

InChI Key: InChIKey=XSVKENMLGSEFEJ-LJQANCHMSA-N

Data: 2 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 2 hits for monomerid = 50112550   

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 2 (Homo sapiens (Human))	BDBM50112550 (2-[1-(4-Chloro-benzoyl)-5-methoxy-2-methyl-1H-indo...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@@H](CO)CC(C)C)c2c1 Show InChI InChI=1S/C25H29ClN2O4/c1-15(2)11-19(14-29)27-24(30)13-21-16(3)28(23-10-9-20(32-4)12-22(21)23)25(31)17-5-7-18(26)8-6-17/h5-10,12,15,19,29H,11,13-14H2,1-4H3,(H,27,30)/t19-/m1/s1	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	500	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 1 (Ovis aries (Sheep))	BDBM50112550 (2-[1-(4-Chloro-benzoyl)-5-methoxy-2-methyl-1H-indo...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@@H](CO)CC(C)C)c2c1 Show InChI InChI=1S/C25H29ClN2O4/c1-15(2)11-19(14-29)27-24(30)13-21-16(3)28(23-10-9-20(32-4)12-22(21)23)25(31)17-5-7-18(26)8-6-17/h5-10,12,15,19,29H,11,13-14H2,1-4H3,(H,27,30)/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>6.30E+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