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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 = 'BDBM50421191'   
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))
BDBM50421191
PNG
(CHEMBL2086402)
Show SMILES CCC(=O)Cn1c2ccccc2c2n(C)c(C(=O)NC3CCN(CCO)CC3)c(OC)c2c1=O
Show InChI InChI=1S/C25H32N4O5/c1-4-17(31)15-29-19-8-6-5-7-18(19)21-20(25(29)33)23(34-3)22(27(21)2)24(32)26-16-9-11-28(12-10-16)13-14-30/h5-8,16,30H,4,9-15H2,1-3H3,(H,26,32)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>100n/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