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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sonic hedgehog protein' and Ligand = 'BDBM50443885'   
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
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50443885
PNG
(CHEMBL3091556)
Show SMILES Cc1cccc(C)c1NC(=O)c1ccc(Nc2ncc(c(n2)-c2ccc(OC(F)(F)F)cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C27H20F6N4O2/c1-15-4-3-5-16(2)22(15)36-24(38)18-6-10-19(11-7-18)35-25-34-14-21(26(28,29)30)23(37-25)17-8-12-20(13-9-17)39-27(31,32)33/h3-14H,1-2H3,(H,36,38)(H,34,35,37)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.530n/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