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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Smoothened homolog' and Ligand = 'BDBM50200483'   
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)		BDBM50200483
PNG
(CHEMBL3979327)
Show SMILES [H][C@]1(CC[C@@H](C)c2ccc(C)nc12)[C@@H](C)C(=O)Nc1ccc(Cl)c(c1)-c1nc2cc(OC(F)(F)F)ccc2n1C |r|
Show InChI InChI=1S/C29H28ClF3N4O2/c1-15-5-9-21(26-20(15)10-6-16(2)34-26)17(3)28(38)35-18-7-11-23(30)22(13-18)27-36-24-14-19(39-29(31,32)33)8-12-25(24)37(27)4/h6-8,10-15,17,21H,5,9H2,1-4H3,(H,35,38)/t15-,17-,21+/m1/s1
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Similars
Article
PubMed
n/an/a 85n/an/an/an/an/an/a



University of Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay

J Med Chem 59: 11050-11068 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01247
BindingDB Entry DOI: 10.7270/Q2TQ63G3
More data for this
Ligand-Target Pair