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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 = 'BDBM50101808'   
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))
BDBM50101808
PNG
(CHEMBL3398169)
Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)[C@@]1(O)CCNC[C@@H]1O |r|
Show InChI InChI=1S/C25H27N5O4/c1-33-21-6-4-3-5-18(21)20-10-8-17-14-27-24(29-30(17)20)28-19-9-7-16(13-22(19)34-2)25(32)11-12-26-15-23(25)31/h3-10,13-14,23,26,31-32H,11-12,15H2,1-2H3,(H,28,29)/t23-,25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK (unknown origin) by enzymatic assay


Bioorg Med Chem Lett 25: 1047-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.019
BindingDB Entry DOI: 10.7270/Q2GB25SJ
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50101808
PNG
(CHEMBL3398169)
Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)[C@@]1(O)CCNC[C@@H]1O |r|
Show InChI InChI=1S/C25H27N5O4/c1-33-21-6-4-3-5-18(21)20-10-8-17-14-27-24(29-30(17)20)28-19-9-7-16(13-22(19)34-2)25(32)11-12-26-15-23(25)31/h3-10,13-14,23,26,31-32H,11-12,15H2,1-2H3,(H,28,29)/t23-,25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK (unknown origin) by cellular assay


Bioorg Med Chem Lett 25: 1047-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.019
BindingDB Entry DOI: 10.7270/Q2GB25SJ
More data for this
Ligand-Target Pair