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SMILES: COc1ccc(cc1-c1cnc(nc1CN1C(=O)O[C@H](c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C11CCC1)N1CC(F)C1)-c1ccc(cc1C)C(O)=O

InChI Key: InChIKey=DZGCLOPINKDAMD-WJOKGBTCSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 264525   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM264525
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)N1CC(F)C1)-c1ccc(cc1C)C(O)=O |r|
Show InChI InChI=1S/C37H31F7N4O5/c1-19-10-21(32(49)50)4-6-26(19)20-5-7-30(52-2)27(13-20)28-15-45-33(47-16-25(38)17-47)46-29(28)18-48-34(51)53-31(35(48)8-3-9-35)22-11-23(36(39,40)41)14-24(12-22)37(42,43)44/h4-7,10-15,25,31H,3,8-9,16-18H2,1-2H3,(H,49,50)/t31-/m1/s1
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US Patent
n/an/a 73n/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