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SMILES: CN(Cc1ccccc1)Cc1ccc(C)c(NC(=O)c2ccc(Nc3ncc(C)c(n3)-c3ccc(OC(F)(F)F)cc3)cc2)c1

InChI Key: InChIKey=ZKEUVZANLIVPOD-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50443896   
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
Sonic hedgehog protein


(Mus musculus (Mouse))		BDBM50443896
PNG
(CHEMBL3091572)
Show SMILES CN(Cc1ccccc1)Cc1ccc(C)c(NC(=O)c2ccc(Nc3ncc(C)c(n3)-c3ccc(OC(F)(F)F)cc3)cc2)c1
Show InChI InChI=1S/C35H32F3N5O2/c1-23-9-10-26(22-43(3)21-25-7-5-4-6-8-25)19-31(23)41-33(44)28-11-15-29(16-12-28)40-34-39-20-24(2)32(42-34)27-13-17-30(18-14-27)45-35(36,37)38/h4-20H,21-22H2,1-3H3,(H,41,44)(H,39,40,42)
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PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.10n/an/an/an/an/an/a



Jiangsu Simcere Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of SHH signaling pathway in mouse NIH3T3 cells measured after 48 hrs by Gli-luciferase reporter assay

Bioorg Med Chem Lett 23: 6777-83 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.022
BindingDB Entry DOI: 10.7270/Q2R49S7W
More data for this
Ligand-Target Pair