BDBM499811 US11020398, Compound I-123::US20230364079, Example ARQ-531

SMILES OC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12

InChI Key

Data  10 IC50

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 10 hits for monomerid = 499811   

TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
Arqule

US Patent
LigandPNGBDBM499811(US11020398, Compound I-123 | US20230364079, Exampl...)
Affinity DataIC50:  0.850nMAssay Description:Enzyme assay using full length recombinant active form of wild-type BTK and BTK-C481S was measured as described previously (Anastassiadis T, et al., ...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
Arqule

US Patent
LigandPNGBDBM499811(US11020398, Compound I-123 | US20230364079, Exampl...)
Affinity DataIC50:  0.850nMAssay Description:Enzyme assay using full length recombinant active form of wild-type BTK and BTK-C481S was measured as described previously (Anastassiadis T, et al., ...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase BTK [C481S](Homo sapiens (Human))
Arqule

US Patent
LigandPNGBDBM499811(US11020398, Compound I-123 | US20230364079, Exampl...)
Affinity DataIC50:  0.390nMAssay Description:Enzyme assay using full length recombinant active form of wild-type BTK and BTK-C481S was measured as described previously (Anastassiadis T, et al., ...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
Arqule

US Patent
LigandPNGBDBM499811(US11020398, Compound I-123 | US20230364079, Exampl...)
Affinity DataIC50:  0.390nMAssay Description:Inhibition of wild type human BTK C481S mutant using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma33P]ATP by radiometric assayMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
Arqule

US Patent
LigandPNGBDBM499811(US11020398, Compound I-123 | US20230364079, Exampl...)
Affinity DataIC50:  0.850nMAssay Description:Reversible inhibition of human BTKMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
Arqule

US Patent
LigandPNGBDBM499811(US11020398, Compound I-123 | US20230364079, Exampl...)
Affinity DataIC50:  12.5nMAssay Description:Kinase Reaction Process: (1) Preparation of 1 × Kinase buffer.(2) Preparation of compound with gradient concentrations: The test compound was tested ...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase BTK [C481S](Homo sapiens (Human))
Arqule

US Patent
LigandPNGBDBM499811(US11020398, Compound I-123 | US20230364079, Exampl...)
Affinity DataIC50: <5nMAssay Description:Kinase Reaction Process: (1) Preparation of 1 × Kinase buffer.(2) Preparation of compound with gradient concentrations: The test compound was tested ...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
Arqule

US Patent
LigandPNGBDBM499811(US11020398, Compound I-123 | US20230364079, Exampl...)
Affinity DataIC50:  0.850nMAssay Description:Inhibition of full-length wild-type BTK (unknown origin)More data for this Ligand-Target Pair
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
Arqule

US Patent
LigandPNGBDBM499811(US11020398, Compound I-123 | US20230364079, Exampl...)
Affinity DataIC50:  0.390nMAssay Description:Inhibition of BTK C481S mutant (unknown origin)More data for this Ligand-Target Pair
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
Arqule

US Patent
LigandPNGBDBM499811(US11020398, Compound I-123 | US20230364079, Exampl...)
Affinity DataIC50:  0.850nMAssay Description:Inhibition of wild type human BTK using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma33P]ATP by radiometric assayMore data for this Ligand-Target Pair