BDBM138246 US8871738, 29

SMILES: COc1cc(F)c(cc1-c1ccc(cc1[C@@H]1CC[C@H]2[C@H](OC(=O)N12)c1cc(C)cc(c1)C(F)(F)F)C(F)(F)F)-c1ccc(cc1C)C(O)=O

InChI Key: InChIKey=ICRWGQWCTMTVBD-LHHUKBANSA-N

Data: 1 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 1 hit for monomerid = 138246   

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))	BDBM138246 (US8871738, 29) Show SMILES COc1cc(F)c(cc1-c1ccc(cc1[C@@H]1CC[C@H]2[C@H](OC(=O)N12)c1cc(C)cc(c1)C(F)(F)F)C(F)(F)F)-c1ccc(cc1C)C(O)=O |r| Show InChI InChI=1S/C36H28F7NO5/c1-17-10-20(13-22(11-17)36(41,42)43)32-30-9-8-29(44(30)34(47)49-32)26-14-21(35(38,39)40)5-7-24(26)27-15-25(28(37)16-31(27)48-3)23-6-4-19(33(45)46)12-18(23)2/h4-7,10-16,29-30,32H,8-9H2,1-3H3,(H,45,46)/t29-,30-,32+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	44.6	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