BDBM250082 US9447106, 27b (peak 2)::US9556188, Compound 27a

SMILES NC(=O)c1c2NCC[C@@H](C3CCN(CC3)C(=O)C=C)n2nc1-c1ccc(Oc2ccccc2)cc1

InChI Key InChIKey=RNOAOAWBMHREKO-QFIPXVFZSA-N

Data  78 IC50  10 Kd  2 EC50

  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 90 hits for monomerid = 250082   

TargetTyrosine-protein kinase BTK(Human)
Beigene

US Patent
LigandPNGBDBM250082(US9447106, 27b (peak 2) | US9556188, Compound 27a)
Affinity DataIC50:  2nMT: 25°CAssay Description:Compounds disclosed herein were tested for inhibition of Btk kinase activity in an assay based on time-resolved fluorescence resonance energy transfe...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetTyrosine-protein kinase BTK(Human)
Beigene

US Patent
LigandPNGBDBM250082(US9447106, 27b (peak 2) | US9556188, Compound 27a)
Affinity DataIC50:  0.330nMT: 25°CAssay Description:Compounds disclosed herein were tested for inhibition of Btk kinase activity in an assay based on time-resolved fluorescence resonance energy transfe...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetCytochrome P450 3A4(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM250082(US9447106, 27b (peak 2) | US9556188, Compound 27a)
Affinity DataIC50:  1.43E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes at 1 uM using midazolam as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase Tec(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM250082(US9447106, 27b (peak 2) | US9556188, Compound 27a)
Affinity DataIC50:  205nMAssay Description:Inhibition of TEC phosphorylation in HEK293 cells peincubated for 3 hrs followed by pervanadate stimulation and measured after 20 mins by MSD assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM250082(US9447106, 27b (peak 2) | US9556188, Compound 27a)
Affinity DataIC50:  7.60E+3nMAssay Description:Inhibition of CYP2C19 in human liver microsomes at 1 uM by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase BTK(Human)
Beigene

US Patent
LigandPNGBDBM250082(US9447106, 27b (peak 2) | US9556188, Compound 27a)
Affinity DataIC50:  0.920nMAssay Description:Inhibition of human BTK using poly[Glu:Tyr] (4:1) as substrate preincubated for 60 mins followed by [gamma-33P]-ATP addition and measured after 120 m...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase Blk(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM250082(US9447106, 27b (peak 2) | US9556188, Compound 27a)
Affinity DataIC50:  1.10nMAssay Description:Inhibition of human BLK using poly[Glu:Tyr] (4:1) as substrate preincubated for 60 mins followed by [gamma-33P]-ATP addition and measured after 120 m...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase FRK(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM250082(US9447106, 27b (peak 2) | US9556188, Compound 27a)
Affinity DataIC50:  379nMAssay Description:Inhibition of human FRK using poly[Glu:Tyr] (4:1) as substrate preincubated for 60 mins followed by [gamma-33P]-ATP addition and measured after 120 m...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase BTK(Human)
Beigene

US Patent
LigandPNGBDBM250082(US9447106, 27b (peak 2) | US9556188, Compound 27a)
Affinity DataIC50:  1.80nMAssay Description:Inhibition of BTK in human Ramos cells assessed as reduction in BTK phosphorylation at Tyr223 residue preincubated for 1 hr followed by pervanadate o...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase BTK(Human)
Beigene

US Patent
LigandPNGBDBM250082(US9447106, 27b (peak 2) | US9556188, Compound 27a)
Affinity DataIC50:  0.300nMAssay Description:Inhibition of N-terminal His-tagged recombinant human BTK (393 to 659 residues) expressed in baculovirus infected Sf9 cells preincubated for 1 hr fol...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEpidermal growth factor receptor(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM250082(US9447106, 27b (peak 2) | US9556188, Compound 27a)
Affinity DataIC50:  2.60nMAssay Description:Inhibition of EGFR (unknown origin) preincubated for 1 hr followed by Biotin-AVLESEEELYSSARQ-NH2 substrate addition in presence of ATP and measured a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEpidermal growth factor receptor(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM250082(US9447106, 27b (peak 2) | US9556188, Compound 27a)
Affinity DataIC50:  606nMAssay Description:Inhibition of EGFR in human A431 cells assessed as reduction in EGFR phosphorylation at Tyr1068 residues preincubated for 1 hr followed by human EGF ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase Tec(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM250082(US9447106, 27b (peak 2) | US9556188, Compound 27a)
Affinity DataIC50:  205nMAssay Description:Inhibition of TEC phosphorylation in HEK293 cells peincubated for 3 hrs followed by pervanadate stimulation and measured after 20 mins by MSD assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM250082(US9447106, 27b (peak 2) | US9556188, Compound 27a)
Affinity DataIC50:  6.06E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes at 1 uM using testosterone as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C8(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM250082(US9447106, 27b (peak 2) | US9556188, Compound 27a)
Affinity DataIC50:  4.00E+3nMAssay Description:Inhibition of CYP2C8 in human liver microsomes at 1 uM by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM250082(US9447106, 27b (peak 2) | US9556188, Compound 27a)
Affinity DataIC50:  7.60E+3nMAssay Description:Inhibition of CYP2C19 in human liver microsomes at 1 uM by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2B6(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM250082(US9447106, 27b (peak 2) | US9556188, Compound 27a)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP2B6 in human liver microsomes at 1 uM by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM250082(US9447106, 27b (peak 2) | US9556188, Compound 27a)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes at 1 uM by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEpidermal growth factor receptor(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM250082(US9447106, 27b (peak 2) | US9556188, Compound 27a)
Affinity DataIC50:  2.60nMAssay Description:Inhibition of EGFR (unknown origin) preincubated for 1 hr followed by Biotin-AVLESEEELYSSARQ-NH2 substrate addition in presence of ATP and measured a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase BTK(Human)
Beigene

US Patent
LigandPNGBDBM250082(US9447106, 27b (peak 2) | US9556188, Compound 27a)
Affinity DataIC50:  0.920nMAssay Description:Inhibition of human BTK using poly[Glu:Tyr] (4:1) as substrate preincubated for 60 mins followed by [gamma-33P]-ATP addition and measured after 120 m...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase Tec(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM250082(US9447106, 27b (peak 2) | US9556188, Compound 27a)
Affinity DataIC50:  2nMAssay Description:Inhibition of TEC (unknown origin) preincubated for 1 hr followed by Biotin-AVLESEEELYSSARQ-NH2 substrate addition in presence of ATP and measured af...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase Blk(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM250082(US9447106, 27b (peak 2) | US9556188, Compound 27a)
Affinity DataIC50:  1.10nMAssay Description:Inhibition of human BLK using poly[Glu:Tyr] (4:1) as substrate preincubated for 60 mins followed by [gamma-33P]-ATP addition and measured after 120 m...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProtein-tyrosine kinase 6(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM250082(US9447106, 27b (peak 2) | US9556188, Compound 27a)
Affinity DataIC50:  33nMAssay Description:Inhibition of human BRK using poly[Glu:Tyr] (4:1) as substrate preincubated for 60 mins followed by [gamma-33P]-ATP addition and measured after 120 m...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase FRK(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM250082(US9447106, 27b (peak 2) | US9556188, Compound 27a)
Affinity DataIC50:  379nMAssay Description:Inhibition of human FRK using poly[Glu:Tyr] (4:1) as substrate preincubated for 60 mins followed by [gamma-33P]-ATP addition and measured after 120 m...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase ITK/TSK(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM250082(US9447106, 27b (peak 2) | US9556188, Compound 27a)
Affinity DataIC50:  56nMAssay Description:Inhibition of ITK (unknown origin) preincubated for 1 hr followed by Biotin-AVLESEEELYSSARQ-NH2 substrate addition in presence of ATP and measured af...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase Tec(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM250082(US9447106, 27b (peak 2) | US9556188, Compound 27a)
Affinity DataIC50:  2nMAssay Description:Inhibition of TEC (unknown origin) preincubated for 1 hr followed by Biotin-AVLESEEELYSSARQ-NH2 substrate addition in presence of ATP and measured af...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM250082(US9447106, 27b (peak 2) | US9556188, Compound 27a)
Affinity DataIC50:  530nMAssay Description:Inhibition of HER2 (unknown origin) preincubated for 1 hr followed by Biotin-AVLESEEELYSSARQ-NH2 substrate addition in presence of ATP and measured a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM250082(US9447106, 27b (peak 2) | US9556188, Compound 27a)
Affinity DataIC50:  0.620nMAssay Description:Inhibition of human BMX using poly[Glu:Tyr] (4:1) as substrate preincubated for 60 mins followed by [gamma-33P]-ATP addition and measured after 120 m...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM250082(US9447106, 27b (peak 2) | US9556188, Compound 27a)
Affinity DataIC50:  1.60nMAssay Description:Inhibition of human HER4 using poly[Glu:Tyr] (4:1) as substrate preincubated for 60 mins followed by [gamma-33P]-ATP addition and measured after 120 ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase Lck(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM250082(US9447106, 27b (peak 2) | US9556188, Compound 27a)
Affinity DataIC50:  187nMAssay Description:Inhibition of human LCK using poly[Glu:Tyr] (4:1) as substrate preincubated for 60 mins followed by [gamma-33P]-ATP addition and measured after 120 m...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase TXK(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM250082(US9447106, 27b (peak 2) | US9556188, Compound 27a)
Affinity DataIC50:  3nMAssay Description:Inhibition of human TXK using poly[Glu:Tyr] (4:1) as substrate preincubated for 60 mins followed by [gamma-33P]-ATP addition and measured after 120 m...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEpidermal growth factor receptor(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM250082(US9447106, 27b (peak 2) | US9556188, Compound 27a)
Affinity DataIC50:  606nMAssay Description:Inhibition of EGFR in human A431 cells assessed as reduction in EGFR phosphorylation at Tyr1068 residues preincubated for 1 hr followed by human EGF ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase ITK/TSK(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM250082(US9447106, 27b (peak 2) | US9556188, Compound 27a)
Affinity DataIC50:  3.48E+3nMAssay Description:Inhibition of ITK in human Jurkat cells assessed as reduction in PLCgamma1 phosphorylation at Y783 residues preincubated for 2 hrs followed by H2O2 a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM250082(US9447106, 27b (peak 2) | US9556188, Compound 27a)
Affinity DataIC50:  1.43E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes at 1 uM using midazolam as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM250082(US9447106, 27b (peak 2) | US9556188, Compound 27a)
Affinity DataIC50:  5.70E+3nMAssay Description:Inhibition of CYP2C9 in human liver microsomes at 1 uM by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM250082(US9447106, 27b (peak 2) | US9556188, Compound 27a)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes at 1 uM by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2B6(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM250082(US9447106, 27b (peak 2) | US9556188, Compound 27a)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP2B6 in human liver microsomes at 1 uM by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase ITK/TSK(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM250082(US9447106, 27b (peak 2) | US9556188, Compound 27a)
Affinity DataIC50:  56nMAssay Description:Inhibition of ITK (unknown origin) preincubated for 1 hr followed by Biotin-AVLESEEELYSSARQ-NH2 substrate addition in presence of ATP and measured af...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM250082(US9447106, 27b (peak 2) | US9556188, Compound 27a)
Affinity DataIC50:  530nMAssay Description:Inhibition of HER2 (unknown origin) preincubated for 1 hr followed by Biotin-AVLESEEELYSSARQ-NH2 substrate addition in presence of ATP and measured a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM250082(US9447106, 27b (peak 2) | US9556188, Compound 27a)
Affinity DataIC50:  0.620nMAssay Description:Inhibition of human BMX using poly[Glu:Tyr] (4:1) as substrate preincubated for 60 mins followed by [gamma-33P]-ATP addition and measured after 120 m...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase Fgr(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM250082(US9447106, 27b (peak 2) | US9556188, Compound 27a)
Affinity DataIC50:  155nMAssay Description:Inhibition of human FGR using poly[Glu:Tyr] (4:1) as substrate preincubated for 60 mins followed by [gamma-33P]-ATP addition and measured after 120 m...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase Lck(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM250082(US9447106, 27b (peak 2) | US9556188, Compound 27a)
Affinity DataIC50:  187nMAssay Description:Inhibition of human LCK using poly[Glu:Tyr] (4:1) as substrate preincubated for 60 mins followed by [gamma-33P]-ATP addition and measured after 120 m...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase ITK/TSK(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM250082(US9447106, 27b (peak 2) | US9556188, Compound 27a)
Affinity DataIC50:  3.48E+3nMAssay Description:Inhibition of ITK in human Jurkat cells assessed as reduction in PLCgamma1 phosphorylation at Y783 residues preincubated for 2 hrs followed by H2O2 a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM250082(US9447106, 27b (peak 2) | US9556188, Compound 27a)
Affinity DataIC50:  5.70E+3nMAssay Description:Inhibition of CYP2C9 in human liver microsomes at 1 uM by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM250082(US9447106, 27b (peak 2) | US9556188, Compound 27a)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes at 1 uM by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase BTK(Human)
Beigene

US Patent
LigandPNGBDBM250082(US9447106, 27b (peak 2) | US9556188, Compound 27a)
Affinity DataIC50:  1.80nMAssay Description:Inhibition of BTK in human Ramos cells assessed as reduction in BTK phosphorylation at Tyr223 residue preincubated for 1 hr followed by pervanadate o...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase TXK(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM250082(US9447106, 27b (peak 2) | US9556188, Compound 27a)
Affinity DataIC50:  3nMAssay Description:Inhibition of human TXK using poly[Glu:Tyr] (4:1) as substrate preincubated for 60 mins followed by [gamma-33P]-ATP addition and measured after 120 m...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM250082(US9447106, 27b (peak 2) | US9556188, Compound 27a)
Affinity DataIC50:  6.06E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes at 1 uM using testosterone as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase JAK3(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM250082(US9447106, 27b (peak 2) | US9556188, Compound 27a)
Affinity DataIC50:  580nMAssay Description:Inhibition of JAK3 (unknown origin) preincubated for 1 hr followed by Biotin-AVLESEEELYSSARQ-NH2 substrate addition in presence of ATP and measured a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase JAK3(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM250082(US9447106, 27b (peak 2) | US9556188, Compound 27a)
Affinity DataIC50:  580nMAssay Description:Inhibition of JAK3 (unknown origin) preincubated for 1 hr followed by Biotin-AVLESEEELYSSARQ-NH2 substrate addition in presence of ATP and measured a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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