BDBM50168780 3-(3-tert-Butylsulfanyl-5-isopropyl-1-methyl-1H-indol-2-yl)-2,2-dimethyl-propionic acid::CHEMBL181390

SMILES: CC(C)c1ccc2n(C)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1

InChI Key: InChIKey=RYIOXZWYRPKVLU-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50168780   

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 E synthase 2 (Homo sapiens (Human))	BDBM50168780 (3-(3-tert-Butylsulfanyl-5-isopropyl-1-methyl-1H-in...) Show SMILES CC(C)c1ccc2n(C)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1 Show InChI InChI=1S/C21H31NO2S/c1-13(2)14-9-10-16-15(11-14)18(25-20(3,4)5)17(22(16)8)12-21(6,7)19(23)24/h9-11,13H,12H2,1-8H3,(H,23,24)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibitory concentration against human prostaglandin E2 synthase (mPGES-1)				Bioorg Med Chem Lett 15: 3352-5 (2005) Article DOI: 10.1016/j.bmcl.2005.05.027 BindingDB Entry DOI: 10.7270/Q21R6Q1X
					More data for this Ligand-Target Pair