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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL2' and Ligand = 'BDBM50427746'   
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
Tyrosine-protein kinase ABL2


(Homo sapiens (Human))
BDBM50427746
PNG
(CHEMBL2321908)
Show SMILES Cc1ccc(NC(=O)c2ccc(Cn3ccnc3)c(c2)C(F)(F)F)cc1C#Cc1ncc(Nc2ccccc2)cn1
Show InChI InChI=1S/C31H23F3N6O/c1-21-7-11-26(15-22(21)10-12-29-36-17-27(18-37-29)38-25-5-3-2-4-6-25)39-30(41)23-8-9-24(19-40-14-13-35-20-40)28(16-23)31(32,33)34/h2-9,11,13-18,20,38H,19H2,1H3,(H,39,41)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 298n/an/an/an/an/an/a



Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of Abl2 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...


J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL2


(Homo sapiens (Human))
BDBM50427746
PNG
(CHEMBL2321908)
Show SMILES Cc1ccc(NC(=O)c2ccc(Cn3ccnc3)c(c2)C(F)(F)F)cc1C#Cc1ncc(Nc2ccccc2)cn1
Show InChI InChI=1S/C31H23F3N6O/c1-21-7-11-26(15-22(21)10-12-29-36-17-27(18-37-29)38-25-5-3-2-4-6-25)39-30(41)23-8-9-24(19-40-14-13-35-20-40)28(16-23)31(32,33)34/h2-9,11,13-18,20,38H,19H2,1H3,(H,39,41)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of Abl2 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...


J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair