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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1' and Ligand = 'BDBM50490918'   
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 ABL1


(Homo sapiens (Human))
BDBM50490918
PNG
(CHEMBL2347710)
Show SMILES CCNC(=O)Nc1nc2ccc(cc2s1)-c1ccccc1OC
Show InChI InChI=1S/C17H17N3O2S/c1-3-18-16(21)20-17-19-13-9-8-11(10-15(13)23-17)12-6-4-5-7-14(12)22-2/h4-10H,3H2,1-2H3,(H2,18,19,20,21)
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PC cid
PC sid
UniChem
n/an/a 0.0600n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50490918
PNG
(CHEMBL2347710)
Show SMILES CCNC(=O)Nc1nc2ccc(cc2s1)-c1ccccc1OC
Show InChI InChI=1S/C17H17N3O2S/c1-3-18-16(21)20-17-19-13-9-8-11(10-15(13)23-17)12-6-4-5-7-14(12)22-2/h4-10H,3H2,1-2H3,(H2,18,19,20,21)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.110n/an/an/an/an/an/a



Korea Institute of Science and Technology (KAIST)

Curated by ChEMBL


Assay Description
Inhibition of breakpoint cluster region-Abelson tyrosine kinase T315I mutant (unknown origin) using [gamma-33P]ATP as substrate by radiometric kinase...


J Med Chem 56: 3531-45 (2013)


Article DOI: 10.1021/jm301891t
BindingDB Entry DOI: 10.7270/Q2BG2RW2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50490918
PNG
(CHEMBL2347710)
Show SMILES CCNC(=O)Nc1nc2ccc(cc2s1)-c1ccccc1OC
Show InChI InChI=1S/C17H17N3O2S/c1-3-18-16(21)20-17-19-13-9-8-11(10-15(13)23-17)12-6-4-5-7-14(12)22-2/h4-10H,3H2,1-2H3,(H2,18,19,20,21)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.110n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Mus musculus)
BDBM50490918
PNG
(CHEMBL2347710)
Show SMILES CCNC(=O)Nc1nc2ccc(cc2s1)-c1ccccc1OC
Show InChI InChI=1S/C17H17N3O2S/c1-3-18-16(21)20-17-19-13-9-8-11(10-15(13)23-17)12-6-4-5-7-14(12)22-2/h4-10H,3H2,1-2H3,(H2,18,19,20,21)
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
n/an/a 2.14E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Mus musculus)
BDBM50490918
PNG
(CHEMBL2347710)
Show SMILES CCNC(=O)Nc1nc2ccc(cc2s1)-c1ccccc1OC
Show InChI InChI=1S/C17H17N3O2S/c1-3-18-16(21)20-17-19-13-9-8-11(10-15(13)23-17)12-6-4-5-7-14(12)22-2/h4-10H,3H2,1-2H3,(H2,18,19,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 3.57E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair