BDBM50516399 CHEMBL4448253

SMILES: NC(C(=O)N[C@@](Cc1ccccc1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(Cl)cn1)C(O)(C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=ZHNVPGYPGBIXIY-BPARTEKVSA-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 = 50516399   

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))	BDBM50516399 (CHEMBL4448253) Show SMILES NC(C(=O)N[C@@](Cc1ccccc1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(Cl)cn1)C(O)(C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C26H19ClF11N3O3/c27-15-6-7-18(40-12-15)22(11-13-4-2-1-3-5-13,14-8-16(28)10-17(9-14)44-24(31,32)21(29)30)41-20(42)19(39)23(43,25(33,34)35)26(36,37)38/h1-10,12,19,21,43H,11,39H2,(H,41,42)/t19?,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.90E+3	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 assessed as reduction in [3H]-CE/HDL transfer incubated for 2.5 hrs by topcount scintillation counting assay				ACS Med Chem Lett 10: 911-916 (2019) Article DOI: 10.1021/acsmedchemlett.9b00086
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50516399 (CHEMBL4448253) Show SMILES NC(C(=O)N[C@@](Cc1ccccc1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(Cl)cn1)C(O)(C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C26H19ClF11N3O3/c27-15-6-7-18(40-12-15)22(11-13-4-2-1-3-5-13,14-8-16(28)10-17(9-14)44-24(31,32)21(29)30)41-20(42)19(39)23(43,25(33,34)35)26(36,37)38/h1-10,12,19,21,43H,11,39H2,(H,41,42)/t19?,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	53	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 assessed as reduction in [3H]CE/HDL transfer incubated for 4 hrs by scintillation proximity assay				ACS Med Chem Lett 10: 911-916 (2019) Article DOI: 10.1021/acsmedchemlett.9b00086
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50516399 (CHEMBL4448253) Show SMILES NC(C(=O)N[C@@](Cc1ccccc1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(Cl)cn1)C(O)(C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C26H19ClF11N3O3/c27-15-6-7-18(40-12-15)22(11-13-4-2-1-3-5-13,14-8-16(28)10-17(9-14)44-24(31,32)21(29)30)41-20(42)19(39)23(43,25(33,34)35)26(36,37)38/h1-10,12,19,21,43H,11,39H2,(H,41,42)/t19?,22-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in HEK293 cells by whole cell patch clamp method				ACS Med Chem Lett 10: 911-916 (2019) Article DOI: 10.1021/acsmedchemlett.9b00086
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50516399 (CHEMBL4448253) Show SMILES NC(C(=O)N[C@@](Cc1ccccc1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(Cl)cn1)C(O)(C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C26H19ClF11N3O3/c27-15-6-7-18(40-12-15)22(11-13-4-2-1-3-5-13,14-8-16(28)10-17(9-14)44-24(31,32)21(29)30)41-20(42)19(39)23(43,25(33,34)35)26(36,37)38/h1-10,12,19,21,43H,11,39H2,(H,41,42)/t19?,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	940	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 assessed as reduction in [3H]-CE/HDL transfer incubated for 2.5 hrs by topcount scintillation counting assay				ACS Med Chem Lett 10: 911-916 (2019) Article DOI: 10.1021/acsmedchemlett.9b00086
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50516399 (CHEMBL4448253) Show SMILES NC(C(=O)N[C@@](Cc1ccccc1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(Cl)cn1)C(O)(C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C26H19ClF11N3O3/c27-15-6-7-18(40-12-15)22(11-13-4-2-1-3-5-13,14-8-16(28)10-17(9-14)44-24(31,32)21(29)30)41-20(42)19(39)23(43,25(33,34)35)26(36,37)38/h1-10,12,19,21,43H,11,39H2,(H,41,42)/t19?,22-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in HEK293 cells by whole cell patch clamp method				ACS Med Chem Lett 10: 911-916 (2019) Article DOI: 10.1021/acsmedchemlett.9b00086
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50516399 (CHEMBL4448253) Show SMILES NC(C(=O)N[C@@](Cc1ccccc1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(Cl)cn1)C(O)(C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C26H19ClF11N3O3/c27-15-6-7-18(40-12-15)22(11-13-4-2-1-3-5-13,14-8-16(28)10-17(9-14)44-24(31,32)21(29)30)41-20(42)19(39)23(43,25(33,34)35)26(36,37)38/h1-10,12,19,21,43H,11,39H2,(H,41,42)/t19?,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	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 assessed as reduction in [3H]CE/HDL transfer incubated for 4 hrs by scintillation proximity assay				ACS Med Chem Lett 10: 911-916 (2019) Article DOI: 10.1021/acsmedchemlett.9b00086
					More data for this Ligand-Target Pair