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SMILES: COc1ncc(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

InChI Key: InChIKey=LJSPQDNXFYGYHN-HPGBDJQBSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 254037   
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))		BDBM254037
PNG
(US9493430, 584)
Show SMILES COc1ncc(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/C34H31ClF6N2O5/c1-17-28(19-9-22(33(36,37)38)13-23(10-19)34(39,40)41)48-31(46)43(17)16-21-14-32(2,3)8-7-24(21)26-11-20(15-42-29(26)47-4)25-6-5-18(30(44)45)12-27(25)35/h5-6,9-13,15,17,28H,7-8,14,16H2,1-4H3,(H,44,45)/t17-,28-/m0/s1
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PC cid
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US Patent
n/an/a 5.30n/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