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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Smoothened homolog' and Ligand = 'BDBM50539198'   
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
Smoothened homolog


(Mus musculus)		BDBM50539198
PNG
(CHEMBL4643226)
Show SMILES Cc1cc(C)c(cc1NC(=O)c1ccc(OCc2ccccn2)cc1)-c1ccc(N)cn1
Show InChI InChI=1S/C26H24N4O2/c1-17-13-18(2)25(14-23(17)24-11-8-20(27)15-29-24)30-26(31)19-6-9-22(10-7-19)32-16-21-5-3-4-12-28-21/h3-15H,16,27H2,1-2H3,(H,30,31)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentia...

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115227
BindingDB Entry DOI: 10.7270/Q2CF9TNC
More data for this
Ligand-Target Pair