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SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccc4cccnc4c3)cc2)n(n1)-c1ccc2ncccc2c1

InChI Key InChIKey=DQLDULIEUKHCJI-UHFFFAOYSA-N

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 332706   

TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent
LigandPNGBDBM332706(US10196378, Compound C09 | US10196378, Compound C1...)copy SMILEScopy InChI
Affinity DataKi:  0.640nMAssay Description:The biochemical assays were carried out using the non-phosphorylated kinase domain of c-Abl, Bcr-Abl in Ba/F3 cells is in the phosphorylated state.More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2ZG6VCPUS Patent
TargetTyrosine-protein kinase ABL1 [Y253F](Homo sapiens (Human))
THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent
LigandPNGBDBM332706(US10196378, Compound C09 | US10196378, Compound C1...)copy SMILEScopy InChI
Affinity DataKi:  2.5nMAssay Description:The biochemical assays were carried out using the non-phosphorylated kinase domain of c-Abl, Bcr-Abl in Ba/F3 cells is in the phosphorylated state.More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2ZG6VCPUS Patent
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent
LigandPNGBDBM332706(US10196378, Compound C09 | US10196378, Compound C1...)copy SMILEScopy InChI
Affinity DataKi:  3.30nMAssay Description:The biochemical assays were carried out using the non-phosphorylated kinase domain of c-Abl, Bcr-Abl in Ba/F3 cells is in the phosphorylated state.More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2ZG6VCPUS Patent
TargetTyrosine-protein kinase ABL1 [Y253F](Homo sapiens (Human))
THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent
LigandPNGBDBM332706(US10196378, Compound C09 | US10196378, Compound C1...)copy SMILEScopy InChI
Affinity DataKi:  7.60nMAssay Description:The biochemical assays were carried out using the non-phosphorylated kinase domain of c-Abl, Bcr-Abl in Ba/F3 cells is in the phosphorylated state.More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2ZG6VCPUS Patent
TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent
LigandPNGBDBM332706(US10196378, Compound C09 | US10196378, Compound C1...)copy SMILEScopy InChI
Affinity DataKi:  143nMAssay Description:The biochemical assays were carried out using the non-phosphorylated kinase domain of c-Abl, Bcr-Abl in Ba/F3 cells is in the phosphorylated state.More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2ZG6VCPUS Patent
TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent
LigandPNGBDBM332706(US10196378, Compound C09 | US10196378, Compound C1...)copy SMILEScopy InChI
Affinity DataKi:  345nMAssay Description:The biochemical assays were carried out using the non-phosphorylated kinase domain of c-Abl, Bcr-Abl in Ba/F3 cells is in the phosphorylated state.More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2ZG6VCPUS Patent
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent
LigandPNGBDBM332706(US10196378, Compound C09 | US10196378, Compound C1...)copy SMILEScopy InChI
Affinity DataIC50: 719nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24F1VP1PubMed