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SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@]1(CC#N)C[C@@H](C1)C#N

InChI Key InChIKey=XPLZTJWZDBFWDE-LDTOLXSISA-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 21 hits for monomerid = 305820   

TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM305820((1s,3s)-3-(Cyanomethyl)-3-(4-(6-(1-methyl-1H-pyraz...)copy SMILEScopy InChI
Affinity DataIC50: 6nMAssay Description:Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2XD13RMUS Patent
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))TBA
LigandPNGBDBM305820((1s,3s)-3-(Cyanomethyl)-3-(4-(6-(1-methyl-1H-pyraz...)copy SMILEScopy InChI
Affinity DataIC50: 1.05E+3nMAssay Description:Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2T43XB7US Patent
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM305820((1s,3s)-3-(Cyanomethyl)-3-(4-(6-(1-methyl-1H-pyraz...)copy SMILEScopy InChI
Affinity DataIC50: 8nMAssay Description:Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2XD13RMUS Patent
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))TBA
LigandPNGBDBM305820((1s,3s)-3-(Cyanomethyl)-3-(4-(6-(1-methyl-1H-pyraz...)copy SMILEScopy InChI
Affinity DataIC50: 1.05E+3nMAssay Description:Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2XD13RMUS Patent
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM305820((1s,3s)-3-(Cyanomethyl)-3-(4-(6-(1-methyl-1H-pyraz...)copy SMILEScopy InChI
Affinity DataIC50: 6nMAssay Description:Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2SN0C19US Patent
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM305820((1s,3s)-3-(Cyanomethyl)-3-(4-(6-(1-methyl-1H-pyraz...)copy SMILEScopy InChI
Affinity DataIC50: 21nMAssay Description:Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2SN0C19US Patent
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM305820((1s,3s)-3-(Cyanomethyl)-3-(4-(6-(1-methyl-1H-pyraz...)copy SMILEScopy InChI
Affinity DataIC50: 8nMAssay Description:Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2SN0C19US Patent
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))TBA
LigandPNGBDBM305820((1s,3s)-3-(Cyanomethyl)-3-(4-(6-(1-methyl-1H-pyraz...)copy SMILEScopy InChI
Affinity DataIC50: 1.05E+3nMAssay Description:Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2SN0C19US Patent
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM305820((1s,3s)-3-(Cyanomethyl)-3-(4-(6-(1-methyl-1H-pyraz...)copy SMILEScopy InChI
Affinity DataIC50: 6nMAssay Description:Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2G163XXUS Patent
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM305820((1s,3s)-3-(Cyanomethyl)-3-(4-(6-(1-methyl-1H-pyraz...)copy SMILEScopy InChI
Affinity DataIC50: 21nMAssay Description:Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2G163XXUS Patent
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM305820((1s,3s)-3-(Cyanomethyl)-3-(4-(6-(1-methyl-1H-pyraz...)copy SMILEScopy InChI
Affinity DataIC50: 8nMAssay Description:Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2G163XXUS Patent
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))TBA
LigandPNGBDBM305820((1s,3s)-3-(Cyanomethyl)-3-(4-(6-(1-methyl-1H-pyraz...)copy SMILEScopy InChI
Affinity DataIC50: 1.05E+3nMAssay Description:Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2G163XXUS Patent
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM305820((1s,3s)-3-(Cyanomethyl)-3-(4-(6-(1-methyl-1H-pyraz...)copy SMILEScopy InChI
Affinity DataIC50: 6nMAssay Description:Inhibition of recombinant human His-tagged TYK2 expressed in baculovirus infected Sf21 cells using 5FAM-KKSRGDYMTMQID as substrate in presence of ATP...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23N270RPubMed
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM305820((1s,3s)-3-(Cyanomethyl)-3-(4-(6-(1-methyl-1H-pyraz...)copy SMILEScopy InChI
Affinity DataIC50: 21nMAssay Description:Inhibition of recombinant human GST-tagged JAK1 catalytic domain (866 to 1154 residues) expressed in baculovirus expression system using 5FAM-KKSRGDY...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23N270RPubMed
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM305820((1s,3s)-3-(Cyanomethyl)-3-(4-(6-(1-methyl-1H-pyraz...)copy SMILEScopy InChI
Affinity DataIC50: 8nMAssay Description:Inhibition of recombinant human GST-tagged JAK2 catalytic domain (809 to 1153+9 residues) expressed in baculovirus expression system using FITC-KGGEE...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23N270RPubMed
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))TBA
LigandPNGBDBM305820((1s,3s)-3-(Cyanomethyl)-3-(4-(6-(1-methyl-1H-pyraz...)copy SMILEScopy InChI
Affinity DataIC50: 1.05E+3nMAssay Description:Inhibition of recombinant human GST-tagged JAK3 catalytic domain (781 to 1124 residues) expressed in baculovirus expression system using FITC-KGGEEEE...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23N270RPubMed
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM305820((1s,3s)-3-(Cyanomethyl)-3-(4-(6-(1-methyl-1H-pyraz...)copy SMILEScopy InChI
Affinity DataIC50: 22nMAssay Description:Inhibition of JAK2 homodimer signaling pathway in human whole blood spiked with CD34 +ve cells assessed as reduction in EPO induced STAT5 phosphoryla...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23N270RPubMed
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM305820((1s,3s)-3-(Cyanomethyl)-3-(4-(6-(1-methyl-1H-pyraz...)copy SMILEScopy InChI
Affinity DataIC50: 6nMAssay Description:Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2T43XB7US Patent
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM305820((1s,3s)-3-(Cyanomethyl)-3-(4-(6-(1-methyl-1H-pyraz...)copy SMILEScopy InChI
Affinity DataIC50: 21nMAssay Description:Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2T43XB7US Patent
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM305820((1s,3s)-3-(Cyanomethyl)-3-(4-(6-(1-methyl-1H-pyraz...)copy SMILEScopy InChI
Affinity DataIC50: 8nMAssay Description:Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2T43XB7US Patent
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM305820((1s,3s)-3-(Cyanomethyl)-3-(4-(6-(1-methyl-1H-pyraz...)copy SMILEScopy InChI
Affinity DataIC50: 21nMAssay Description:Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2XD13RMUS Patent