Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholesteryl ester transfer protein' and Ligand = 'BDBM234606'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM234606 (US9353101, 2) Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CC(F)C1)C(C)C |r| Show InChI InChI=1S/C29H28F7N5O3/c1-14(2)17-7-21(25(43-4)37-9-17)22-10-38-26(40-11-20(30)12-40)39-23(22)13-41-15(3)24(44-27(41)42)16-5-18(28(31,32)33)8-19(6-16)29(34,35)36/h5-10,14-15,20,24H,11-13H2,1-4H3/t15-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	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 US9353101 (2016) BindingDB Entry DOI: 10.7270/Q2765D7V
					More data for this Ligand-Target Pair