BDBM50088489 CHEMBL3527324

SMILES: CC(C)(CO)NC(=O)c1ccc(Oc2cc(F)c(CC(O)=O)cc2Cl)c(NS(=O)(=O)c2ccc(cc2Cl)C2CC2)c1

InChI Key: InChIKey=PCYLEFFJTKIWON-UHFFFAOYSA-N

Data: 2 KI

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 = 50088489   

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
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50088489 (CHEMBL3527324) Show SMILES CC(C)(CO)NC(=O)c1ccc(Oc2cc(F)c(CC(O)=O)cc2Cl)c(NS(=O)(=O)c2ccc(cc2Cl)C2CC2)c1 Show InChI InChI=1S/C28H27Cl2FN2O7S/c1-28(2,14-34)32-27(37)17-5-7-23(40-24-13-21(31)18(10-19(24)29)12-26(35)36)22(11-17)33-41(38,39)25-8-6-16(9-20(25)30)15-3-4-15/h5-11,13,15,33-34H,3-4,12,14H2,1-2H3,(H,32,37)(H,35,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.17E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc Curated by ChEMBL					Assay Description Inhibition of recombinant CYP2C8 (unknown origin) treated with AMG 853				Drug Metab Dispos 40: 2239-49 (2012) Article DOI: 10.1124/dmd.112.047928 BindingDB Entry DOI: 10.7270/Q2Z039WT
					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM50088489 (CHEMBL3527324) Show SMILES CC(C)(CO)NC(=O)c1ccc(Oc2cc(F)c(CC(O)=O)cc2Cl)c(NS(=O)(=O)c2ccc(cc2Cl)C2CC2)c1 Show InChI InChI=1S/C28H27Cl2FN2O7S/c1-28(2,14-34)32-27(37)17-5-7-23(40-24-13-21(31)18(10-19(24)29)12-26(35)36)22(11-17)33-41(38,39)25-8-6-16(9-20(25)30)15-3-4-15/h5-11,13,15,33-34H,3-4,12,14H2,1-2H3,(H,32,37)(H,35,36)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc Curated by ChEMBL					Assay Description Inhibition of recombinant CYP2J2 (unknown origin) treated with AMG 853				Drug Metab Dispos 40: 2239-49 (2012) Article DOI: 10.1124/dmd.112.047928 BindingDB Entry DOI: 10.7270/Q2Z039WT
					More data for this Ligand-Target Pair