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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 = 'BDBM50382651'   
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))
BDBM50382651
PNG
(CHEMBL2023998)
Show SMILES COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2cccc(c2)-c2ccccc2)cc(OC)c1OC |r|
Show InChI InChI=1S/C32H35N5O4/c1-39-27-18-26(19-28(40-2)30(27)41-3)35-32-33-15-14-29(36-32)37-16-8-13-25(21-37)31(38)34-20-22-9-7-12-24(17-22)23-10-5-4-6-11-23/h4-7,9-12,14-15,17-19,25H,8,13,16,20-21H2,1-3H3,(H,34,38)(H,33,35,36)/t25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 19n/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
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50382651
PNG
(CHEMBL2023998)
Show SMILES COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2cccc(c2)-c2ccccc2)cc(OC)c1OC |r|
Show InChI InChI=1S/C32H35N5O4/c1-39-27-18-26(19-28(40-2)30(27)41-3)35-32-33-15-14-29(36-32)37-16-8-13-25(21-37)31(38)34-20-22-9-7-12-24(17-22)23-10-5-4-6-11-23/h4-7,9-12,14-15,17-19,25H,8,13,16,20-21H2,1-3H3,(H,34,38)(H,33,35,36)/t25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 224n/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