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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor' and Ligand = 'BDBM50352762'   
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
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM50352762
PNG
(CHEMBL1823223)
Show SMILES CC(C)c1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1COC1
Show InChI InChI=1S/C29H32N4O2/c1-17(2)21-12-22-23(13-25(21)33-9-7-32(8-10-33)19-15-35-16-19)29(3,4)28-26(27(22)34)20-6-5-18(14-30)11-24(20)31-28/h5-6,11-13,17,19,31H,7-10,15-16H2,1-4H3
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Article
PubMed
n/an/a 66n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ALK activity by TR-FRET assay

J Med Chem 54: 6286-94 (2011)


Article DOI: 10.1021/jm200652u
BindingDB Entry DOI: 10.7270/Q2P55NWZ
More data for this
Ligand-Target Pair