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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 = 'BDBM50246490'   
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))
BDBM50246490
PNG
(CHEMBL4092349)
Show SMILES Fc1cccc(Nc2ccnc3cc(ccc23)-c2cnn(c2)C2CCNCC2)c1
Show InChI InChI=1S/C23H22FN5/c24-18-2-1-3-19(13-18)28-22-8-11-26-23-12-16(4-5-21(22)23)17-14-27-29(15-17)20-6-9-25-10-7-20/h1-5,8,11-15,20,25H,6-7,9-10H2,(H,26,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 377n/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