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BDBM50371519 CHEMBL271655

SMILES: COc1ccc([C@@H]2[C@H](OC(=O)N2c2cccc(F)c2)C(=O)N(C)Cc2ccc(F)cc2)c(O)c1

InChI Key: InChIKey=CLCPHEJFIKWIHH-PKTZIBPZSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50371519   
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
Niemann-Pick C1-like protein 1


(Rattus norvegicus)		BDBM50371519
PNG
(CHEMBL271655)
Show SMILES COc1ccc([C@@H]2[C@H](OC(=O)N2c2cccc(F)c2)C(=O)N(C)Cc2ccc(F)cc2)c(O)c1
Show InChI InChI=1S/C25H22F2N2O5/c1-28(14-15-6-8-16(26)9-7-15)24(31)23-22(20-11-10-19(33-2)13-21(20)30)29(25(32)34-23)18-5-3-4-17(27)12-18/h3-13,22-23,30H,14H2,1-2H3/t22-,23+/m1/s1
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Similars
Article
PubMed
 1.40E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane

Bioorg Med Chem Lett 18: 546-53 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.083
BindingDB Entry DOI: 10.7270/Q22F7P9P
More data for this
Ligand-Target Pair