BDBM50376713 CHEMBL259710

SMILES: Clc1ccc(OCC(=O)Nc2ccc(cc2)-c2nc3cc(ccc3o2)C#N)c2CCCc12

InChI Key: InChIKey=INLQHAOEXCPGBE-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50376713   

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
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50376713 (CHEMBL259710) Show SMILES Clc1ccc(OCC(=O)Nc2ccc(cc2)-c2nc3cc(ccc3o2)C#N)c2CCCc12 Show InChI InChI=1S/C25H18ClN3O3/c26-20-9-11-22(19-3-1-2-18(19)20)31-14-24(30)28-17-7-5-16(6-8-17)25-29-21-12-15(13-27)4-10-23(21)32-25/h4-12H,1-3,14H2,(H,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of CETP in human whole plasma				Bioorg Med Chem Lett 18: 2640-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.030 BindingDB Entry DOI: 10.7270/Q2V40W3V
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50376713 (CHEMBL259710) Show SMILES Clc1ccc(OCC(=O)Nc2ccc(cc2)-c2nc3cc(ccc3o2)C#N)c2CCCc12 Show InChI InChI=1S/C25H18ClN3O3/c26-20-9-11-22(19-3-1-2-18(19)20)31-14-24(30)28-17-7-5-16(6-8-17)25-29-21-12-15(13-27)4-10-23(21)32-25/h4-12H,1-3,14H2,(H,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human CETP by scintillation proximity assay				Bioorg Med Chem Lett 18: 2640-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.030 BindingDB Entry DOI: 10.7270/Q2V40W3V
					More data for this Ligand-Target Pair