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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 = 'BDBM50246545'   
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))		BDBM50246545
PNG
(CHEMBL4065208)
Show SMILES Oc1ccc(Oc2ccnc3cc(ccc23)-c2cnn(c2)C2CCNCC2)cc1
Show InChI InChI=1S/C23H22N4O2/c28-19-2-4-20(5-3-19)29-23-9-12-25-22-13-16(1-6-21(22)23)17-14-26-27(15-17)18-7-10-24-11-8-18/h1-6,9,12-15,18,24,28H,7-8,10-11H2
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PC cid
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Similars
Article
PubMed
n/an/a 5.20n/an/an/an/an/an/a



Korea Advanced Institute of Science and Technology (KAIST)

Curated by ChEMBL


Assay Description
Inhibition of human wild type ALK using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition afte...

J Med Chem 60: 9205-9221 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01039
BindingDB Entry DOI: 10.7270/Q26D5WF3
More data for this
Ligand-Target Pair