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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1' and Ligand = 'BDBM50180753'   
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))
BDBM50180753
PNG
((5-benzoyl-1H-benzimidazol-2-yl)-carbamic acid met...)
Show SMILES COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1
Show InChI InChI=1S/C16H13N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,18,19,21)
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MMDB

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MCE
PC cid
PC sid
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Article
PubMed
4.60E+3n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human ABL by radiometric assay


J Med Chem 55: 2803-10 (2012)


Article DOI: 10.1021/jm201725v
BindingDB Entry DOI: 10.7270/Q2ST7QVK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50180753
PNG
((5-benzoyl-1H-benzimidazol-2-yl)-carbamic acid met...)
Show SMILES COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1
Show InChI InChI=1S/C16H13N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,18,19,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
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CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human ABL


Bioorg Med Chem Lett 22: 5264-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.050
BindingDB Entry DOI: 10.7270/Q2X63P0G
More data for this
Ligand-Target Pair