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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 = 'BDBM50421188'   
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))		BDBM50421188
PNG
(CHEMBL2086803)
Show SMILES COc1c(C(=O)NCCN2CCOCC2)n(C)c2c1c(=O)n(CC(=O)c1ccccc1)c1ccccc21
Show InChI InChI=1S/C28H30N4O5/c1-30-24-20-10-6-7-11-21(20)32(18-22(33)19-8-4-3-5-9-19)28(35)23(24)26(36-2)25(30)27(34)29-12-13-31-14-16-37-17-15-31/h3-11H,12-18H2,1-2H3,(H,29,34)
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Similars
Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse Shh expressed in human NIH/3T3 cells assessed as inhibition of Gli1 expression after 48 hrs by luciferase reporter ge...

Bioorg Med Chem 20: 5496-506 (2012)


Article DOI: 10.1016/j.bmc.2012.07.039
BindingDB Entry DOI: 10.7270/Q2N017TJ
More data for this
Ligand-Target Pair