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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor' and Ligand = 'BDBM50382648'   
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))
BDBM50382648
PNG
(CHEMBL2024001)
Show SMILES COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2cccc(c2)N2CCOCC2)cc(OC)c1OC |r|
Show InChI InChI=1S/C30H38N6O5/c1-38-25-17-23(18-26(39-2)28(25)40-3)33-30-31-10-9-27(34-30)36-11-5-7-22(20-36)29(37)32-19-21-6-4-8-24(16-21)35-12-14-41-15-13-35/h4,6,8-10,16-18,22H,5,7,11-15,19-20H2,1-3H3,(H,32,37)(H,31,33,34)/t22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 28n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK phosphorylation in human Karpas-299 cells after 1 hr


J Med Chem 55: 1698-705 (2012)


Article DOI: 10.1021/jm201565s
BindingDB Entry DOI: 10.7270/Q20P111R
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50382648
PNG
(CHEMBL2024001)
Show SMILES COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2cccc(c2)N2CCOCC2)cc(OC)c1OC |r|
Show InChI InChI=1S/C30H38N6O5/c1-38-25-17-23(18-26(39-2)28(25)40-3)33-30-31-10-9-27(34-30)36-11-5-7-22(20-36)29(37)32-19-21-6-4-8-24(16-21)35-12-14-41-15-13-35/h4,6,8-10,16-18,22H,5,7,11-15,19-20H2,1-3H3,(H,32,37)(H,31,33,34)/t22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 31n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-fused ALK cytoplasmic domain (1058 to 1620) expressed in SF9 cells using Biotin-Ahx- EQEDEPEGIYGVLF-OH as substrat...


J Med Chem 55: 1698-705 (2012)


Article DOI: 10.1021/jm201565s
BindingDB Entry DOI: 10.7270/Q20P111R
More data for this
Ligand-Target Pair