null

SMILES CC#CC(=O)N1CC[C@H](C1)n1c2ncnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O

InChI Key InChIKey=SEJLPXCPMNSRAM-GOSISDBHSA-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 36 hits for monomerid = 194087   

TargetTyrosine-protein kinase BTK/Lck(Homo sapiens (Human))
ONO PHARMACEUTICAL CO., LTD.

US Patent
LigandPNGBDBM194087(US20230364079, Example Tirabrutinib | US9199997, 9...)copy SMILEScopy InChI
Affinity DataIC50: 375nMT: 2°CAssay Description:The measurement of Btk enzyme inhibitory activity was performed using the following reagents: Z'-LYTE Kinase Assay Kit-Tyr 1 (containing Tyr 1 peptid...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2GF0S90US Patent
TargetTyrosine-protein kinase Tec(Homo sapiens (Human))TBA
LigandPNGBDBM194087(US20230364079, Example Tirabrutinib | US9199997, 9...)copy SMILEScopy InChI
Affinity DataIC50: 14nMMore data for this Ligand-Target Pair
In DepthDetails
TargetTyrosine-protein kinase BTK/Lyn(Homo sapiens (Human))
ONO PHARMACEUTICAL CO., LTD.

US Patent
LigandPNGBDBM194087(US20230364079, Example Tirabrutinib | US9199997, 9...)copy SMILEScopy InChI
Affinity DataIC50: 1.66E+3nMT: 2°CAssay Description:The measurement of Btk enzyme inhibitory activity was performed using the following reagents: Z'-LYTE Kinase Assay Kit-Tyr 1 (containing Tyr 1 peptid...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2GF0S90US Patent
TargetTyrosine-protein kinase BTK/Lck(Homo sapiens (Human))
ONO PHARMACEUTICAL CO., LTD.

US Patent
LigandPNGBDBM194087(US20230364079, Example Tirabrutinib | US9199997, 9...)copy SMILEScopy InChI
Affinity DataIC50: 1.14E+5nMAssay Description:The Btk enzyme inhibitory activity was measured, based on the protocol provided by the manufacturer, using Btk (Invitrogen Corporation) and the ZR...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2X63PZ1US Patent
TargetTyrosine-protein kinase BTK/Fyn(Homo sapiens (Human))
ONO PHARMACEUTICAL CO., LTD.

US Patent
LigandPNGBDBM194087(US20230364079, Example Tirabrutinib | US9199997, 9...)copy SMILEScopy InChI
Affinity DataIC50: 7.62E+5nMAssay Description:The Btk enzyme inhibitory activity was measured, based on the protocol provided by the manufacturer, using Btk (Invitrogen Corporation) and the ZR...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2X63PZ1US Patent
TargetTyrosine-protein kinase BTK/Lyn(Homo sapiens (Human))
ONO PHARMACEUTICAL CO., LTD.

US Patent
LigandPNGBDBM194087(US20230364079, Example Tirabrutinib | US9199997, 9...)copy SMILEScopy InChI
Affinity DataIC50: 4.71E+5nMAssay Description:The Btk enzyme inhibitory activity was measured, based on the protocol provided by the manufacturer, using Btk (Invitrogen Corporation) and the ZR...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2X63PZ1US Patent
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM194087(US20230364079, Example Tirabrutinib | US9199997, 9...)copy SMILEScopy InChI
Affinity DataIC50: 103nMAssay Description:Inhibition of BTK in human whole blood-derived CD19+ B cells assessed as suppression of anti-IgM stimulated-CD69 expression preincubated for 1 hr fol...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2H134F7PubMed
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM194087(US20230364079, Example Tirabrutinib | US9199997, 9...)copy SMILEScopy InChI
Affinity DataIC50: 312nMAssay Description:Inhibition of BTK in human whole blood derived-basophils assessed as suppression of IgE mediated-FcepsilonR ligation-stimulated CD63 expressionMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2H134F7PubMed
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM194087(US20230364079, Example Tirabrutinib | US9199997, 9...)copy SMILEScopy InChI
Affinity DataKd:  14nMAssay Description:Binding affinity to DNA-tagged recombinant BTK (unknown origin) measured after 1 hr by biotinylated-ligand affinity bead-based qPCR analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GB27FWPubMed
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM194087(US20230364079, Example Tirabrutinib | US9199997, 9...)copy SMILEScopy InChI
Affinity DataIC50: 5.20nMAssay Description:Inhibition of full-length human recombinant BTK using FITC-Ahx-TSELKKVVALYDYMPMNAND-NH2 as substrate measured after 60 mins by caliper assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GB27FWPubMed
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM194087(US20230364079, Example Tirabrutinib | US9199997, 9...)copy SMILEScopy InChI
Affinity DataIC50: 26nMAssay Description:Inhibition of BTK in vitamin D3 differentiated human THP1 cells assessed as inhibition of FCgammaR-induced IL8 production measured after 24 hrs by HT...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GB27FWPubMed
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM194087(US20230364079, Example Tirabrutinib | US9199997, 9...)copy SMILEScopy InChI
Affinity DataIC50: 132nMAssay Description:Inhibition of BTK in human B cells assessed as reduction in anti-IgM/IL4-stimulated CD69 expression on B cells preincubated for 60 mins followed by a...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GB27FWPubMed
TargetCytoplasmic tyrosine-protein kinase BMX(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM194087(US20230364079, Example Tirabrutinib | US9199997, 9...)copy SMILEScopy InChI
Affinity DataKd:  47nMAssay Description:Binding affinity to DNA-tagged recombinant BMX (unknown origin) measured after 1 hr by biotinylated-ligand affinity bead-based qPCR analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GB27FWPubMed
TargetTyrosine-protein kinase Tec(Homo sapiens (Human))TBA
LigandPNGBDBM194087(US20230364079, Example Tirabrutinib | US9199997, 9...)copy SMILEScopy InChI
Affinity DataKd:  6.20nMAssay Description:Binding affinity to DNA-tagged recombinant TEC (unknown origin) measured after 1 hr by biotinylated-ligand affinity bead-based qPCR analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GB27FWPubMed
TargetReceptor tyrosine-protein kinase erbB-2(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM194087(US20230364079, Example Tirabrutinib | US9199997, 9...)copy SMILEScopy InChI
Affinity DataKd:  610nMAssay Description:Binding affinity to DNA-tagged recombinant ERBB2 (unknown origin) measured after 1 hr by biotinylated-ligand affinity bead-based qPCR analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GB27FWPubMed
TargetReceptor tyrosine-protein kinase erbB-4(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM194087(US20230364079, Example Tirabrutinib | US9199997, 9...)copy SMILEScopy InChI
Affinity DataKd: >1.00E+4nMAssay Description:Binding affinity to DNA-tagged recombinant ERBB4 (unknown origin) measured after 1 hr by biotinylated-ligand affinity bead-based qPCR analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GB27FWPubMed
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM194087(US20230364079, Example Tirabrutinib | US9199997, 9...)copy SMILEScopy InChI
Affinity DataKd: >1.00E+4nMAssay Description:Binding affinity to DNA-tagged recombinant JAK3 (unknown origin) measured after 1 hr by biotinylated-ligand affinity bead-based qPCR analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GB27FWPubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM194087(US20230364079, Example Tirabrutinib | US9199997, 9...)copy SMILEScopy InChI
Affinity DataKd: >1.00E+4nMAssay Description:Binding affinity to DNA-tagged recombinant EGFR (unknown origin) measured after 1 hr by biotinylated-ligand affinity bead-based qPCR analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GB27FWPubMed
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM194087(US20230364079, Example Tirabrutinib | US9199997, 9...)copy SMILEScopy InChI
Affinity DataIC50: 363nMAssay Description:Inhibition of BTK in human basophils assessed as reduction in anti-IgE mouse IgG1 antibody Le2-stimulated CD63 expression on basophil preincubated fo...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GB27FWPubMed
TargetTyrosine-protein kinase ITK/TSK(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM194087(US20230364079, Example Tirabrutinib | US9199997, 9...)copy SMILEScopy InChI
Affinity DataKd: >1.00E+4nMAssay Description:Binding affinity to DNA-tagged recombinant ITK (unknown origin) measured after 1 hr by biotinylated-ligand affinity bead-based qPCR analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GB27FWPubMed
TargetPlatelet glycoprotein VI(Homo sapiens (Human))TBA
LigandPNGBDBM194087(US20230364079, Example Tirabrutinib | US9199997, 9...)copy SMILEScopy InChI
Affinity DataIC50: 1.20E+3nMAssay Description:Inhibition of GP6 in human whole blood assessed as protein-mediated platelet aggregation preincubated for 15 mins followed by collagen stimulation an...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2V128FMPubMed
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM194087(US20230364079, Example Tirabrutinib | US9199997, 9...)copy SMILEScopy InChI
Affinity DataIC50: 60nMMore data for this Ligand-Target Pair
In DepthDetails
TargetTyrosine-protein kinase BTK [C481S](Homo sapiens (Human))TBA
LigandPNGBDBM194087(US20230364079, Example Tirabrutinib | US9199997, 9...)copy SMILEScopy InChI
Affinity DataIC50: 550nMMore data for this Ligand-Target Pair
In DepthDetails
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM194087(US20230364079, Example Tirabrutinib | US9199997, 9...)copy SMILEScopy InChI
Affinity DataIC50: 5.60nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZK5MN1PubMed
TargetTyrosine-protein kinase Tec(Homo sapiens (Human))TBA
LigandPNGBDBM194087(US20230364079, Example Tirabrutinib | US9199997, 9...)copy SMILEScopy InChI
Affinity DataIC50: 77nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZK5MN1PubMed
TargetTyrosine-protein kinase ITK/TSK(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM194087(US20230364079, Example Tirabrutinib | US9199997, 9...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+3nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZK5MN1PubMed
TargetTyrosine-protein kinase TXK(Homo sapiens (Human))TBA
LigandPNGBDBM194087(US20230364079, Example Tirabrutinib | US9199997, 9...)copy SMILEScopy InChI
Affinity DataIC50: 116nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZK5MN1PubMed
TargetCytoplasmic tyrosine-protein kinase BMX(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM194087(US20230364079, Example Tirabrutinib | US9199997, 9...)copy SMILEScopy InChI
Affinity DataIC50: 4.30nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZK5MN1PubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM194087(US20230364079, Example Tirabrutinib | US9199997, 9...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+3nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZK5MN1PubMed
TargetReceptor tyrosine-protein kinase erbB-2(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM194087(US20230364079, Example Tirabrutinib | US9199997, 9...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+3nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZK5MN1PubMed
TargetReceptor tyrosine-protein kinase erbB-4(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM194087(US20230364079, Example Tirabrutinib | US9199997, 9...)copy SMILEScopy InChI
Affinity DataIC50: 991nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZK5MN1PubMed
TargetTyrosine-protein kinase Blk(Homo sapiens (Human))TBA
LigandPNGBDBM194087(US20230364079, Example Tirabrutinib | US9199997, 9...)copy SMILEScopy InChI
Affinity DataIC50: 1.13E+3nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZK5MN1PubMed
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM194087(US20230364079, Example Tirabrutinib | US9199997, 9...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+3nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZK5MN1PubMed
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM194087(US20230364079, Example Tirabrutinib | US9199997, 9...)copy SMILEScopy InChI
Affinity DataIC50: 29nMMore data for this Ligand-Target Pair
In DepthDetails
TargetEpidermal growth factor receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM194087(US20230364079, Example Tirabrutinib | US9199997, 9...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails
TargetTyrosine-protein kinase BTK/Fyn(Homo sapiens (Human))
ONO PHARMACEUTICAL CO., LTD.

US Patent
LigandPNGBDBM194087(US20230364079, Example Tirabrutinib | US9199997, 9...)copy SMILEScopy InChI
Affinity DataIC50: 1.06E+3nMT: 2°CAssay Description:The measurement of Btk enzyme inhibitory activity was performed using the following reagents: Z'-LYTE Kinase Assay Kit-Tyr 1 (containing Tyr 1 peptid...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2GF0S90US Patent