null

SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1

InChI Key InChIKey=LARFZNXVNANWFD-MRXNPFEDSA-N

PDB links: 1 PDB ID matches this monomer.

  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 = 213443   

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

US Patent
LigandPNGBDBM213443(US9278981, 35)copy SMILEScopy InChI
Affinity DataIC50: 3nMpH: 7.5 T: 2°CAssay Description:For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 uL of the compound pre-...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetTyrosine-protein kinase ABL1 [64-515](Homo sapiens (Human))
Novartis AG

US Patent
LigandPNGBDBM213443(US9278981, 35)copy SMILEScopy InChI
Affinity DataIC50: 1.20nMpH: 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 sidPDB
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Novartis AG

US Patent
LigandPNGBDBM213443(US9278981, 35)copy SMILEScopy InChI
Affinity DataIC50: 2.90nMAssay Description:Test compounds were resuspended in DMSO at a concentration of 10 mM. A serial three-fold dilution of each compound with DMSO was performed in 384-wel...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Novartis AG

US Patent
LigandPNGBDBM213443(US9278981, 35)copy SMILEScopy InChI
Affinity DataIC50: 2.30nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Novartis AG

US Patent
LigandPNGBDBM213443(US9278981, 35)copy SMILEScopy InChI
Affinity DataIC50: 4nMAssay Description:Inhibition of ABL1 (64 to 515 residues)(unknown origin) expressed in Escherichia coli using FITC-Ahx-EAIYAAPFAKKK-NH2 peptide as substrate after 60 m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Novartis Institutes for BioMedical Research

Curated by ChEMBL
LigandPNGBDBM213443(US9278981, 35)copy SMILEScopy InChI
Affinity DataIC50: 1.70E+4nMAssay Description:Displacement of [3H]dofetilide from human ERG by high throughput assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FX7D3XPubMed
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Novartis AG

US Patent
LigandPNGBDBM213443(US9278981, 35)copy SMILEScopy InChI
Affinity DataIC50: 88nMAssay Description:Test compounds were resuspended in DMSO at a concentration of 10 mM. A serial three-fold dilution of each compound with DMSO was performed in 384-wel...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB