BDBM50366161 CHEMBL1957452

SMILES: CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(F)cc1)C(=O)N[C@@H](CC(O)=O)C(O)=O

InChI Key: InChIKey=MKJJXVJNMMNBOB-FKBYEOEOSA-N

Data: 1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50366161   

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))	BDBM50366161 (CHEMBL1957452) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(F)cc1)C(=O)N[C@@H](CC(O)=O)C(O)=O |r| Show InChI InChI=1S/C27H29FN4O7S/c1-40-11-10-20(25(36)32-22(27(38)39)13-23(33)34)30-26(37)21(31-24(35)15-6-8-17(28)9-7-15)12-16-14-29-19-5-3-2-4-18(16)19/h2-9,14,20-22,29H,10-13H2,1H3,(H,30,37)(H,31,35)(H,32,36)(H,33,34)(H,38,39)/t20-,21-,22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 by fluorescence assay				Bioorg Med Chem 20: 2221-6 (2012) Article DOI: 10.1016/j.bmc.2012.02.021 BindingDB Entry DOI: 10.7270/Q2RV0P5K
					More data for this Ligand-Target Pair