BDBM50343535 3-(1-(4-chlorobenzyl)-3-(benzylthio)-5-(2-(4-chloro-2-fluorophenyl)ethynyl)-1H-indol-2-yl)-2,2-dimethylpropanoic acid::3-(3-(benzylthio)-5-((4-chloro-2-fluorophenyl)ethynyl)-1-(4-chlorobenzyl)-1H-indol-2-yl)-2,2-dimethylpropanoic acid::CHEMBL509791

SMILES: CC(C)(Cc1c(SCc2ccccc2)c2cc(ccc2n1Cc1ccc(Cl)cc1)C#Cc1ccc(Cl)cc1F)C(O)=O

InChI Key: InChIKey=WMQNBFQWQZXFQA-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 = 50343535   

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 (Homo sapiens (Human))	BDBM50343535 (3-(1-(4-chlorobenzyl)-3-(benzylthio)-5-(2-(4-chlor...) Show SMILES CC(C)(Cc1c(SCc2ccccc2)c2cc(ccc2n1Cc1ccc(Cl)cc1)C#Cc1ccc(Cl)cc1F)C(O)=O Show InChI InChI=1S/C35H28Cl2FNO2S/c1-35(2,34(40)41)20-32-33(42-22-25-6-4-3-5-7-25)29-18-23(8-12-26-13-16-28(37)19-30(26)38)11-17-31(29)39(32)21-24-9-14-27(36)15-10-24/h3-7,9-11,13-19H,20-22H2,1-2H3,(H,40,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human microsomal PGES1 in cell-free system assessed as inhibition of conversion of PGH2 to PGE2 by HPLC assay				J Med Chem 54: 3163-74 (2011) Article DOI: 10.1021/jm101309g BindingDB Entry DOI: 10.7270/Q2MS3T3J
					More data for this Ligand-Target Pair