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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 = 'BDBM50526294'   
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))		BDBM50526294
PNG
(CHEMBL4588843)
Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC)N(Cc3cccc(c3)C#N)c2n1)C1CCN(C)CC1 |r|
Show InChI InChI=1S/C31H37N7O2/c1-5-26-30(39)37(4)27-19-33-31(35-29(27)38(26)20-22-9-7-8-21(16-22)18-32)34-25-11-10-24(17-28(25)40-6-2)23-12-14-36(3)15-13-23/h7-11,16-17,19,23,26H,5-6,12-15,20H2,1-4H3,(H,33,34,35)/t26-/m1/s1
PDB

KEGG

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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 370n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Displacement of kinase tracer 236 from human N-terminal GST-tagged ALK F1174L mutant (1058 to 1620 residues) after 60 mins by LanthaScreen Eu--kinase...

J Med Chem 62: 2618-2637 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01947
BindingDB Entry DOI: 10.7270/Q28S4TBZ
More data for this
Ligand-Target Pair