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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholesteryl ester transfer protein' and Ligand = 'BDBM254051'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM254051
PNG
(US9493430, 643)
Show SMILES COc1ccc(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(cc1Cl)C(O)=O |r,c:9|
Show InChI InChI=1S/C35H32ClF6NO5/c1-18-30(21-11-23(34(37,38)39)15-24(12-21)35(40,41)42)48-32(46)43(18)17-22-16-33(2,3)10-9-25(22)27-13-19(6-8-29(27)47-4)26-7-5-20(31(44)45)14-28(26)36/h5-8,11-15,18,30H,9-10,16-17H2,1-4H3,(H,44,45)/t18-,30-/m0/s1
PDB
MMDB

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PC cid
PC sid
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US Patent
n/an/a 7.30n/an/an/an/an/an/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