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SMILES: Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)C1(CC#N)CCC1

InChI Key: InChIKey=HKFADJUNHDIGFR-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 305805   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM305805 (2-(1-(4-(6-(1-Methyl-1H-pyrazol-4-yl)pyrazol o[1,5...) Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)C1(CC#N)CCC1 Show InChI InChI=1S/C19H18N8/c1-25-11-14(9-22-25)16-13-26-17(3-8-21-26)18(24-16)15-10-23-27(12-15)19(6-7-20)4-2-5-19/h3,8-13H,2,4-6H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay 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 &...				US Patent US10144738 (2018) BindingDB Entry DOI: 10.7270/Q2XD13RM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM305805 (2-(1-(4-(6-(1-Methyl-1H-pyrazol-4-yl)pyrazol o[1,5...) Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)C1(CC#N)CCC1 Show InChI InChI=1S/C19H18N8/c1-25-11-14(9-22-25)16-13-26-17(3-8-21-26)18(24-16)15-10-23-27(12-15)19(6-7-20)4-2-5-19/h3,8-13H,2,4-6H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay 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 &...				US Patent US10144738 (2018) BindingDB Entry DOI: 10.7270/Q2XD13RM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM305805 (2-(1-(4-(6-(1-Methyl-1H-pyrazol-4-yl)pyrazol o[1,5...) Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)C1(CC#N)CCC1 Show InChI InChI=1S/C19H18N8/c1-25-11-14(9-22-25)16-13-26-17(3-8-21-26)18(24-16)15-10-23-27(12-15)19(6-7-20)4-2-5-19/h3,8-13H,2,4-6H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	141	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay 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 &...				US Patent US10144738 (2018) BindingDB Entry DOI: 10.7270/Q2XD13RM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM305805 (2-(1-(4-(6-(1-Methyl-1H-pyrazol-4-yl)pyrazol o[1,5...) Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)C1(CC#N)CCC1 Show InChI InChI=1S/C19H18N8/c1-25-11-14(9-22-25)16-13-26-17(3-8-21-26)18(24-16)15-10-23-27(12-15)19(6-7-20)4-2-5-19/h3,8-13H,2,4-6H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay 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 &...				US Patent US10144738 (2018) BindingDB Entry DOI: 10.7270/Q2XD13RM
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM305805 (2-(1-(4-(6-(1-Methyl-1H-pyrazol-4-yl)pyrazol o[1,5...) Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)C1(CC#N)CCC1 Show InChI InChI=1S/C19H18N8/c1-25-11-14(9-22-25)16-13-26-17(3-8-21-26)18(24-16)15-10-23-27(12-15)19(6-7-20)4-2-5-19/h3,8-13H,2,4-6H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay 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 &...				US Patent US10144738 (2018) BindingDB Entry DOI: 10.7270/Q2SN0C19
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM305805 (2-(1-(4-(6-(1-Methyl-1H-pyrazol-4-yl)pyrazol o[1,5...) Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)C1(CC#N)CCC1 Show InChI InChI=1S/C19H18N8/c1-25-11-14(9-22-25)16-13-26-17(3-8-21-26)18(24-16)15-10-23-27(12-15)19(6-7-20)4-2-5-19/h3,8-13H,2,4-6H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay 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 &...				US Patent US10822341 (2020)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM305805 (2-(1-(4-(6-(1-Methyl-1H-pyrazol-4-yl)pyrazol o[1,5...) Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)C1(CC#N)CCC1 Show InChI InChI=1S/C19H18N8/c1-25-11-14(9-22-25)16-13-26-17(3-8-21-26)18(24-16)15-10-23-27(12-15)19(6-7-20)4-2-5-19/h3,8-13H,2,4-6H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	141	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay 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 &...				US Patent US10144738 (2018) BindingDB Entry DOI: 10.7270/Q2SN0C19
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM305805 (2-(1-(4-(6-(1-Methyl-1H-pyrazol-4-yl)pyrazol o[1,5...) Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)C1(CC#N)CCC1 Show InChI InChI=1S/C19H18N8/c1-25-11-14(9-22-25)16-13-26-17(3-8-21-26)18(24-16)15-10-23-27(12-15)19(6-7-20)4-2-5-19/h3,8-13H,2,4-6H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay 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 &...				US Patent US10144738 (2018) BindingDB Entry DOI: 10.7270/Q2SN0C19
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM305805 (2-(1-(4-(6-(1-Methyl-1H-pyrazol-4-yl)pyrazol o[1,5...) Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)C1(CC#N)CCC1 Show InChI InChI=1S/C19H18N8/c1-25-11-14(9-22-25)16-13-26-17(3-8-21-26)18(24-16)15-10-23-27(12-15)19(6-7-20)4-2-5-19/h3,8-13H,2,4-6H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay 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 &...				US Patent US10822341 (2020)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM305805 (2-(1-(4-(6-(1-Methyl-1H-pyrazol-4-yl)pyrazol o[1,5...) Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)C1(CC#N)CCC1 Show InChI InChI=1S/C19H18N8/c1-25-11-14(9-22-25)16-13-26-17(3-8-21-26)18(24-16)15-10-23-27(12-15)19(6-7-20)4-2-5-19/h3,8-13H,2,4-6H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay 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 &...				US Patent US10822341 (2020)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM305805 (2-(1-(4-(6-(1-Methyl-1H-pyrazol-4-yl)pyrazol o[1,5...) Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)C1(CC#N)CCC1 Show InChI InChI=1S/C19H18N8/c1-25-11-14(9-22-25)16-13-26-17(3-8-21-26)18(24-16)15-10-23-27(12-15)19(6-7-20)4-2-5-19/h3,8-13H,2,4-6H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	141	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay 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 &...				US Patent US10822341 (2020)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM305805 (2-(1-(4-(6-(1-Methyl-1H-pyrazol-4-yl)pyrazol o[1,5...) Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)C1(CC#N)CCC1 Show InChI InChI=1S/C19H18N8/c1-25-11-14(9-22-25)16-13-26-17(3-8-21-26)18(24-16)15-10-23-27(12-15)19(6-7-20)4-2-5-19/h3,8-13H,2,4-6H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay 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 &...				US Patent US10144738 (2018) BindingDB Entry DOI: 10.7270/Q2SN0C19
					More data for this Ligand-Target Pair