BDBM50343537 5-(4-tert-butylbenzyl)-1-(4-isopropoxyphenyl)-1H-indole-2-carboxylic acid::CHEMBL484092

SMILES: CC(C)Oc1ccc(cc1)-n1c(cc2cc(Cc3ccc(cc3)C(C)(C)C)ccc12)C(O)=O

InChI Key: InChIKey=AOIVSFVPHPQKGL-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 = 50343537   

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))	BDBM50343537 (5-(4-tert-butylbenzyl)-1-(4-isopropoxyphenyl)-1H-i...) Show SMILES CC(C)Oc1ccc(cc1)-n1c(cc2cc(Cc3ccc(cc3)C(C)(C)C)ccc12)C(O)=O Show InChI InChI=1S/C29H31NO3/c1-19(2)33-25-13-11-24(12-14-25)30-26-15-8-21(17-22(26)18-27(30)28(31)32)16-20-6-9-23(10-7-20)29(3,4)5/h6-15,17-19H,16H2,1-5H3,(H,31,32)	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