BDBM230749 US9340537, 3::US9896444, Example 3

SMILES O[C@H]1CN(C[C@@H]1O)c1ccc(cc1-c1cncs1)C(=O)Nc1ccc(OC(F)(F)F)cc1

InChI Key InChIKey=OICYLIAFHLPMRD-ROUUACIJSA-N

Data  4 IC50

  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 4 hits for monomerid = 230749   

TargetTyrosine-protein kinase ABL1 [64-515](Homo sapiens (Human))
Novatis

US Patent
LigandPNGBDBM230749(US9340537, 3 | US9896444, Example 3)
Affinity DataIC50:  3nMpH: 7.5 T: 2°CAssay Description:The assay was performed by mixing 10 μL of the compound pre-diluted with 10 μL of ATP (20 μM ATP with 0.1 μCi [γ-33P]-ATP) with the...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetTyrosine-protein kinase ABL1 [64-515](Homo sapiens (Human))
Novatis

US Patent
LigandPNGBDBM230749(US9340537, 3 | US9896444, Example 3)
Affinity DataIC50:  3.20nMAssay Description:Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetTyrosine-protein kinase ABL1 [64-515](Homo sapiens (Human))
Novatis

US Patent
LigandPNGBDBM230749(US9340537, 3 | US9896444, Example 3)
Affinity DataIC50:  3nMAssay Description:Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetTyrosine-protein kinase ABL1 [64-515](Homo sapiens (Human))
Novatis

US Patent
LigandPNGBDBM230749(US9340537, 3 | US9896444, Example 3)
Affinity DataIC50:  3.20nMpH: 7.5 T: 2°CAssay Description:The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were started by stepwise addition...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent