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BDBM50526299 CHEMBL4454885

SMILES: CCOc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC)N(Cc3cccc(OC)c3)c2n1)C1CCN(C)CC1

InChI Key: InChIKey=MGKFGNOAYRBZEU-AREMUKBSSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50526299   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM50526299
PNG
(CHEMBL4454885)
Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC)N(Cc3cccc(OC)c3)c2n1)C1CCN(C)CC1 |r|
Show InChI InChI=1S/C31H40N6O3/c1-6-26-30(38)36(4)27-19-32-31(34-29(27)37(26)20-21-9-8-10-24(17-21)39-5)33-25-12-11-23(18-28(25)40-7-2)22-13-15-35(3)16-14-22/h8-12,17-19,22,26H,6-7,13-16,20H2,1-5H3,(H,32,33,34)/t26-/m1/s1
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KEGG

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 350n/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
More data for this
Ligand-Target Pair