BDBM138250 US8871738, 33::US8871738, 42

SMILES: COc1cc(F)c(cc1-c1cnc(cc1[C@@H]1CC[C@H]2[C@H](OC(=O)N12)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N(C)C)C(C)C

InChI Key: InChIKey=XTGSGBXFQNIZMO-PNIUZAESSA-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 3 hits for monomerid = 138250   

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))	BDBM138250 (US8871738, 33 | US8871738, 42) Show SMILES COc1cc(F)c(cc1-c1cnc(cc1[C@@H]1CC[C@H]2[C@H](OC(=O)N12)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N(C)C)C(C)C |r| Show InChI InChI=1S/C31H30F7N3O3/c1-15(2)19-11-21(26(43-5)13-23(19)32)22-14-39-27(40(3)4)12-20(22)24-6-7-25-28(44-29(42)41(24)25)16-8-17(30(33,34)35)10-18(9-16)31(36,37)38/h8-15,24-25,28H,6-7H2,1-5H3/t24-,25-,28+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	108	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description First, low density lipoprotein (LDL) (Meridian) was biotinylated by incubating LDL with biotin for 1 hour on ice, after which it was dialyzed to remo...				US Patent US8871738 (2014) BindingDB Entry DOI: 10.7270/Q2S75F1W
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM138250 (US8871738, 33 | US8871738, 42) Show SMILES COc1cc(F)c(cc1-c1cnc(cc1[C@@H]1CC[C@H]2[C@H](OC(=O)N12)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N(C)C)C(C)C |r| Show InChI InChI=1S/C31H30F7N3O3/c1-15(2)19-11-21(26(43-5)13-23(19)32)22-14-39-27(40(3)4)12-20(22)24-6-7-25-28(44-29(42)41(24)25)16-8-17(30(33,34)35)10-18(9-16)31(36,37)38/h8-15,24-25,28H,6-7H2,1-5H3/t24-,25-,28+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	108	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM138250 (US8871738, 33 | US8871738, 42) Show SMILES COc1cc(F)c(cc1-c1cnc(cc1[C@@H]1CC[C@H]2[C@H](OC(=O)N12)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N(C)C)C(C)C |r| Show InChI InChI=1S/C31H30F7N3O3/c1-15(2)19-11-21(26(43-5)13-23(19)32)22-14-39-27(40(3)4)12-20(22)24-6-7-25-28(44-29(42)41(24)25)16-8-17(30(33,34)35)10-18(9-16)31(36,37)38/h8-15,24-25,28H,6-7H2,1-5H3/t24-,25-,28+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	69.7	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description First, low density lipoprotein (LDL) (Meridian) was biotinylated by incubating LDL with biotin for 1 hour on ice, after which it was dialyzed to remo...				US Patent US8871738 (2014) BindingDB Entry DOI: 10.7270/Q2S75F1W
					More data for this Ligand-Target Pair