BDBM50447534 CHEMBL3116156

SMILES: FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@@](Cc1ccccc1)(Nc1nc2ccccc2[nH]1)c1ccc(Cl)cn1

InChI Key: InChIKey=VOCAUMUELJMEHG-HHHXNRCGSA-N

Data: 6 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 6 hits for monomerid = 50447534   

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))	BDBM50447534 (CHEMBL3116156) Show SMILES FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@@](Cc1ccccc1)(Nc1nc2ccccc2[nH]1)c1ccc(Cl)cn1 |r| Show InChI InChI=1S/C28H20ClF5N4O/c29-19-10-11-24(35-16-19)27(15-17-6-2-1-3-7-17,38-26-36-22-8-4-5-9-23(22)37-26)18-12-20(30)14-21(13-18)39-28(33,34)25(31)32/h1-14,16,25H,15H2,(H2,36,37,38)/t27-/m1/s1	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	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of CETP in human whole plasma using [3H]-CE/HDL after 10 mins				Bioorg Med Chem Lett 24: 860-4 (2014) Article DOI: 10.1016/j.bmcl.2013.12.088 BindingDB Entry DOI: 10.7270/Q2WM1FW9
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50447534 (CHEMBL3116156) Show SMILES FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@@](Cc1ccccc1)(Nc1nc2ccccc2[nH]1)c1ccc(Cl)cn1 |r| Show InChI InChI=1S/C28H20ClF5N4O/c29-19-10-11-24(35-16-19)27(15-17-6-2-1-3-7-17,38-26-36-22-8-4-5-9-23(22)37-26)18-12-20(30)14-21(13-18)39-28(33,34)25(31)32/h1-14,16,25H,15H2,(H2,36,37,38)/t27-/m1/s1	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	90	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human recombinant CETP using [3H]-CE/HDL by scintillation proximity assay				Bioorg Med Chem Lett 24: 860-4 (2014) Article DOI: 10.1016/j.bmcl.2013.12.088 BindingDB Entry DOI: 10.7270/Q2WM1FW9
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50447534 (CHEMBL3116156) Show SMILES FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@@](Cc1ccccc1)(Nc1nc2ccccc2[nH]1)c1ccc(Cl)cn1 |r| Show InChI InChI=1S/C28H20ClF5N4O/c29-19-10-11-24(35-16-19)27(15-17-6-2-1-3-7-17,38-26-36-22-8-4-5-9-23(22)37-26)18-12-20(30)14-21(13-18)39-28(33,34)25(31)32/h1-14,16,25H,15H2,(H2,36,37,38)/t27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				Bioorg Med Chem Lett 24: 860-4 (2014) Article DOI: 10.1016/j.bmcl.2013.12.088 BindingDB Entry DOI: 10.7270/Q2WM1FW9
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50447534 (CHEMBL3116156) Show SMILES FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@@](Cc1ccccc1)(Nc1nc2ccccc2[nH]1)c1ccc(Cl)cn1 |r| Show InChI InChI=1S/C28H20ClF5N4O/c29-19-10-11-24(35-16-19)27(15-17-6-2-1-3-7-17,38-26-36-22-8-4-5-9-23(22)37-26)18-12-20(30)14-21(13-18)39-28(33,34)25(31)32/h1-14,16,25H,15H2,(H2,36,37,38)/t27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				Bioorg Med Chem Lett 24: 860-4 (2014) Article DOI: 10.1016/j.bmcl.2013.12.088 BindingDB Entry DOI: 10.7270/Q2WM1FW9
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50447534 (CHEMBL3116156) Show SMILES FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@@](Cc1ccccc1)(Nc1nc2ccccc2[nH]1)c1ccc(Cl)cn1 |r| Show InChI InChI=1S/C28H20ClF5N4O/c29-19-10-11-24(35-16-19)27(15-17-6-2-1-3-7-17,38-26-36-22-8-4-5-9-23(22)37-26)18-12-20(30)14-21(13-18)39-28(33,34)25(31)32/h1-14,16,25H,15H2,(H2,36,37,38)/t27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem Lett 24: 860-4 (2014) Article DOI: 10.1016/j.bmcl.2013.12.088 BindingDB Entry DOI: 10.7270/Q2WM1FW9
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50447534 (CHEMBL3116156) Show SMILES FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@@](Cc1ccccc1)(Nc1nc2ccccc2[nH]1)c1ccc(Cl)cn1 |r| Show InChI InChI=1S/C28H20ClF5N4O/c29-19-10-11-24(35-16-19)27(15-17-6-2-1-3-7-17,38-26-36-22-8-4-5-9-23(22)37-26)18-12-20(30)14-21(13-18)39-28(33,34)25(31)32/h1-14,16,25H,15H2,(H2,36,37,38)/t27-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 24: 860-4 (2014) Article DOI: 10.1016/j.bmcl.2013.12.088 BindingDB Entry DOI: 10.7270/Q2WM1FW9
					More data for this Ligand-Target Pair