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BDBM50443894 CHEMBL3091574

SMILES: Cc1cccc(C)c1NC(=O)c1ccc(Nc2ncc(C3CC3)c(n2)-c2ccc(OC(F)(F)F)cc2)cc1

InChI Key: InChIKey=LSPUHMHWMOGUHT-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50443894   
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))
BDBM50443894
PNG
(CHEMBL3091574)
Show SMILES Cc1cccc(C)c1NC(=O)c1ccc(Nc2ncc(C3CC3)c(n2)-c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C29H25F3N4O2/c1-17-4-3-5-18(2)25(17)35-27(37)21-8-12-22(13-9-21)34-28-33-16-24(19-6-7-19)26(36-28)20-10-14-23(15-11-20)38-29(30,31)32/h3-5,8-16,19H,6-7H2,1-2H3,(H,35,37)(H,33,34,36)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30n/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