BDBM254054 US9493430, 661

SMILES: COc1cc(F)c(cc1C1=C(CN2[C@@H](C)[C@H](OC2=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)CC(C)(C)CC1)-c1ccc(cc1F)C(O)=O

InChI Key: InChIKey=KLSAMXRCKXLILK-ZOKDDAQRSA-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 = 254054   

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))	BDBM254054 (US9493430, 661) Show SMILES COc1cc(F)c(cc1C1=C(CN2[C@@H](C)[C@H](OC2=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)CC(C)(C)CC1)-c1ccc(cc1F)C(O)=O |r,c:10| Show InChI InChI=1S/C35H31F8NO5/c1-17-30(19-9-21(34(38,39)40)12-22(10-19)35(41,42)43)49-32(47)44(17)16-20-15-33(2,3)8-7-23(20)26-13-25(28(37)14-29(26)48-4)24-6-5-18(31(45)46)11-27(24)36/h5-6,9-14,17,30H,7-8,15-16H2,1-4H3,(H,45,46)/t17-,30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Chong Kun Dang Pharmaceutical Corp. US Patent					Assay Description As a protein source for cholesteryl ester transfer, plasma from healthy persons was used, and as a cholesteryl ester receptor, LDL from healthy perso...				US Patent US9493430 (2016) BindingDB Entry DOI: 10.7270/Q2W37V7V
					More data for this Ligand-Target Pair