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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 = 'BDBM264526'   
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))
BDBM264526
PNG
(3'-[4-({(8R)-8-[3,5- bis(trifluoromethyl)phenyl]- ...)
Show SMILES COc1ccc(cc1-c1cnc(nc1CN1C(=O)O[C@H](c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C11CCC1)N1CCOCC1)-c1ccc(cc1C)C(O)=O |r|
Show InChI InChI=1S/C38H34F6N4O6/c1-21-14-23(33(49)50)4-6-27(21)22-5-7-31(52-2)28(17-22)29-19-45-34(47-10-12-53-13-11-47)46-30(29)20-48-35(51)54-32(36(48)8-3-9-36)24-15-25(37(39,40)41)18-26(16-24)38(42,43)44/h4-7,14-19,32H,3,8-13,20H2,1-2H3,(H,49,50)/t32-/m1/s1
PDB
MMDB

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PC cid
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US Patent
n/an/a 242n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Transfer assays are performed in a 96-well v-bottom polypropylene plate. For the RTA using recombinant CETP (2% RTA), an assay cocktail is prepared w...


US Patent US9717714 (2017)


BindingDB Entry DOI: 10.7270/Q2TQ63J0
More data for this
Ligand-Target Pair