Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with all data for entry = 5918   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM100350 (US10533001, Example 99 | US11414410, Example 99 | ...) Show SMILES CS(=O)(=O)N1CCN(CC1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1 Show InChI InChI=1S/C19H25N7O3S/c1-30(28,29)26-10-8-25(9-11-26)15-6-4-14(5-7-15)23-19-21-12-16(17(20)27)18(24-19)22-13-2-3-13/h4-7,12-13H,2-3,8-11H2,1H3,(H2,20,27)(H2,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.800	2.70	n/a	n/a	n/a	n/a	n/a
Portola Pharmaceuticals, Inc. US Patent					Assay Description ATP-site dependent competition binding assay using Ambit KinomeScan Screening kit.				US Patent US8501944 (2013) BindingDB Entry DOI: 10.7270/Q20Z71W0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM100350 (US10533001, Example 99 | US11414410, Example 99 | ...) Show SMILES CS(=O)(=O)N1CCN(CC1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1 Show InChI InChI=1S/C19H25N7O3S/c1-30(28,29)26-10-8-25(9-11-26)15-6-4-14(5-7-15)23-19-21-12-16(17(20)27)18(24-19)22-13-2-3-13/h4-7,12-13H,2-3,8-11H2,1H3,(H2,20,27)(H2,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.20	5.10	n/a	n/a	n/a	n/a	n/a
Portola Pharmaceuticals, Inc. US Patent					Assay Description ATP-site dependent competition binding assay using Ambit KinomeScan Screening kit.				US Patent US8501944 (2013) BindingDB Entry DOI: 10.7270/Q20Z71W0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM100350 (US10533001, Example 99 | US11414410, Example 99 | ...) Show SMILES CS(=O)(=O)N1CCN(CC1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1 Show InChI InChI=1S/C19H25N7O3S/c1-30(28,29)26-10-8-25(9-11-26)15-6-4-14(5-7-15)23-19-21-12-16(17(20)27)18(24-19)22-13-2-3-13/h4-7,12-13H,2-3,8-11H2,1H3,(H2,20,27)(H2,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.70	4.70	n/a	n/a	n/a	n/a	n/a
Portola Pharmaceuticals, Inc. US Patent					Assay Description ATP-site dependent competition binding assay using Ambit KinomeScan Screening kit.				US Patent US8501944 (2013) BindingDB Entry DOI: 10.7270/Q20Z71W0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM100350 (US10533001, Example 99 | US11414410, Example 99 | ...) Show SMILES CS(=O)(=O)N1CCN(CC1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1 Show InChI InChI=1S/C19H25N7O3S/c1-30(28,29)26-10-8-25(9-11-26)15-6-4-14(5-7-15)23-19-21-12-16(17(20)27)18(24-19)22-13-2-3-13/h4-7,12-13H,2-3,8-11H2,1H3,(H2,20,27)(H2,21,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	15	4.5	n/a	n/a	n/a	n/a	n/a
Portola Pharmaceuticals, Inc. US Patent					Assay Description ATP-site dependent competition binding assay using Ambit KinomeScan Screening kit.				US Patent US8501944 (2013) BindingDB Entry DOI: 10.7270/Q20Z71W0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM100348 (US10533001, Example Table 9a.1 | US11414410, Table...) Show SMILES COCC(=O)N1CCN(CC1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1 Show InChI InChI=1S/C21H27N7O3/c1-31-13-18(29)28-10-8-27(9-11-28)16-6-4-15(5-7-16)25-21-23-12-17(19(22)30)20(26-21)24-14-2-3-14/h4-7,12,14H,2-3,8-11,13H2,1H3,(H2,22,30)(H2,23,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a
Portola Pharmaceuticals, Inc. US Patent					Assay Description ATP-site dependent competition binding assay using Ambit KinomeScan Screening kit.				US Patent US8501944 (2013) BindingDB Entry DOI: 10.7270/Q20Z71W0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM100349 (US10533001, Example Table 9a.2 | US11414410, Table...) Show SMILES CNC(=O)[C@H]1CCCN(C1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1 |r| Show InChI InChI=1S/C21H27N7O2/c1-23-20(30)13-3-2-10-28(12-13)16-8-6-15(7-9-16)26-21-24-11-17(18(22)29)19(27-21)25-14-4-5-14/h6-9,11,13-14H,2-5,10,12H2,1H3,(H2,22,29)(H,23,30)(H2,24,25,26,27)/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a
Portola Pharmaceuticals, Inc. US Patent					Assay Description ATP-site dependent competition binding assay using Ambit KinomeScan Screening kit.				US Patent US8501944 (2013) BindingDB Entry DOI: 10.7270/Q20Z71W0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM100350 (US10533001, Example 99 | US11414410, Example 99 | ...) Show SMILES CS(=O)(=O)N1CCN(CC1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1 Show InChI InChI=1S/C19H25N7O3S/c1-30(28,29)26-10-8-25(9-11-26)15-6-4-14(5-7-15)23-19-21-12-16(17(20)27)18(24-19)22-13-2-3-13/h4-7,12-13H,2-3,8-11H2,1H3,(H2,20,27)(H2,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a
Portola Pharmaceuticals, Inc. US Patent					Assay Description ATP-site dependent competition binding assay using Ambit KinomeScan Screening kit.				US Patent US8501944 (2013) BindingDB Entry DOI: 10.7270/Q20Z71W0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM100351 (US10533001, Example Table 9a.4 | US11414410, Table...) Show SMILES NC(=O)[C@@H]1CCCN(C1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1 |r| Show InChI InChI=1S/C20H25N7O2/c21-17(28)12-2-1-9-27(11-12)15-7-5-14(6-8-15)25-20-23-10-16(18(22)29)19(26-20)24-13-3-4-13/h5-8,10,12-13H,1-4,9,11H2,(H2,21,28)(H2,22,29)(H2,23,24,25,26)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a
Portola Pharmaceuticals, Inc. US Patent					Assay Description ATP-site dependent competition binding assay using Ambit KinomeScan Screening kit.				US Patent US8501944 (2013) BindingDB Entry DOI: 10.7270/Q20Z71W0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM100348 (US10533001, Example Table 9a.1 | US11414410, Table...) Show SMILES COCC(=O)N1CCN(CC1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1 Show InChI InChI=1S/C21H27N7O3/c1-31-13-18(29)28-10-8-27(9-11-28)16-6-4-15(5-7-16)25-21-23-12-17(19(22)30)20(26-21)24-14-2-3-14/h4-7,12,14H,2-3,8-11,13H2,1H3,(H2,22,30)(H2,23,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a
Portola Pharmaceuticals, Inc. US Patent					Assay Description ATP-site dependent competition binding assay using Ambit KinomeScan Screening kit.				US Patent US8501944 (2013) BindingDB Entry DOI: 10.7270/Q20Z71W0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM100348 (US10533001, Example Table 9a.1 | US11414410, Table...) Show SMILES COCC(=O)N1CCN(CC1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1 Show InChI InChI=1S/C21H27N7O3/c1-31-13-18(29)28-10-8-27(9-11-28)16-6-4-15(5-7-16)25-21-23-12-17(19(22)30)20(26-21)24-14-2-3-14/h4-7,12,14H,2-3,8-11,13H2,1H3,(H2,22,30)(H2,23,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a
Portola Pharmaceuticals, Inc. US Patent					Assay Description ATP-site dependent competition binding assay using Ambit KinomeScan Screening kit.				US Patent US8501944 (2013) BindingDB Entry DOI: 10.7270/Q20Z71W0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM100348 (US10533001, Example Table 9a.1 | US11414410, Table...) Show SMILES COCC(=O)N1CCN(CC1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1 Show InChI InChI=1S/C21H27N7O3/c1-31-13-18(29)28-10-8-27(9-11-28)16-6-4-15(5-7-16)25-21-23-12-17(19(22)30)20(26-21)24-14-2-3-14/h4-7,12,14H,2-3,8-11,13H2,1H3,(H2,22,30)(H2,23,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a
Portola Pharmaceuticals, Inc. US Patent					Assay Description ATP-site dependent competition binding assay using Ambit KinomeScan Screening kit.				US Patent US8501944 (2013) BindingDB Entry DOI: 10.7270/Q20Z71W0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM100348 (US10533001, Example Table 9a.1 | US11414410, Table...) Show SMILES COCC(=O)N1CCN(CC1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1 Show InChI InChI=1S/C21H27N7O3/c1-31-13-18(29)28-10-8-27(9-11-28)16-6-4-15(5-7-16)25-21-23-12-17(19(22)30)20(26-21)24-14-2-3-14/h4-7,12,14H,2-3,8-11,13H2,1H3,(H2,22,30)(H2,23,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a
Portola Pharmaceuticals, Inc. US Patent					Assay Description ATP-site dependent competition binding assay using Ambit KinomeScan Screening kit.				US Patent US8501944 (2013) BindingDB Entry DOI: 10.7270/Q20Z71W0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM100351 (US10533001, Example Table 9a.4 | US11414410, Table...) Show SMILES NC(=O)[C@@H]1CCCN(C1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1 |r| Show InChI InChI=1S/C20H25N7O2/c21-17(28)12-2-1-9-27(11-12)15-7-5-14(6-8-15)25-20-23-10-16(18(22)29)19(26-20)24-13-3-4-13/h5-8,10,12-13H,1-4,9,11H2,(H2,21,28)(H2,22,29)(H2,23,24,25,26)/t12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a
Portola Pharmaceuticals, Inc. US Patent					Assay Description ATP-site dependent competition binding assay using Ambit KinomeScan Screening kit.				US Patent US8501944 (2013) BindingDB Entry DOI: 10.7270/Q20Z71W0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM100351 (US10533001, Example Table 9a.4 | US11414410, Table...) Show SMILES NC(=O)[C@@H]1CCCN(C1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1 |r| Show InChI InChI=1S/C20H25N7O2/c21-17(28)12-2-1-9-27(11-12)15-7-5-14(6-8-15)25-20-23-10-16(18(22)29)19(26-20)24-13-3-4-13/h5-8,10,12-13H,1-4,9,11H2,(H2,21,28)(H2,22,29)(H2,23,24,25,26)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a
Portola Pharmaceuticals, Inc. US Patent					Assay Description ATP-site dependent competition binding assay using Ambit KinomeScan Screening kit.				US Patent US8501944 (2013) BindingDB Entry DOI: 10.7270/Q20Z71W0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM100351 (US10533001, Example Table 9a.4 | US11414410, Table...) Show SMILES NC(=O)[C@@H]1CCCN(C1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1 |r| Show InChI InChI=1S/C20H25N7O2/c21-17(28)12-2-1-9-27(11-12)15-7-5-14(6-8-15)25-20-23-10-16(18(22)29)19(26-20)24-13-3-4-13/h5-8,10,12-13H,1-4,9,11H2,(H2,21,28)(H2,22,29)(H2,23,24,25,26)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a
Portola Pharmaceuticals, Inc. US Patent					Assay Description ATP-site dependent competition binding assay using Ambit KinomeScan Screening kit.				US Patent US8501944 (2013) BindingDB Entry DOI: 10.7270/Q20Z71W0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM100351 (US10533001, Example Table 9a.4 | US11414410, Table...) Show SMILES NC(=O)[C@@H]1CCCN(C1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1 |r| Show InChI InChI=1S/C20H25N7O2/c21-17(28)12-2-1-9-27(11-12)15-7-5-14(6-8-15)25-20-23-10-16(18(22)29)19(26-20)24-13-3-4-13/h5-8,10,12-13H,1-4,9,11H2,(H2,21,28)(H2,22,29)(H2,23,24,25,26)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a
Portola Pharmaceuticals, Inc. US Patent					Assay Description ATP-site dependent competition binding assay using Ambit KinomeScan Screening kit.				US Patent US8501944 (2013) BindingDB Entry DOI: 10.7270/Q20Z71W0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM100350 (US10533001, Example 99 | US11414410, Example 99 | ...) Show SMILES CS(=O)(=O)N1CCN(CC1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1 Show InChI InChI=1S/C19H25N7O3S/c1-30(28,29)26-10-8-25(9-11-26)15-6-4-14(5-7-15)23-19-21-12-16(17(20)27)18(24-19)22-13-2-3-13/h4-7,12-13H,2-3,8-11H2,1H3,(H2,20,27)(H2,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a
Portola Pharmaceuticals, Inc. US Patent					Assay Description ATP-site dependent competition binding assay using Ambit KinomeScan Screening kit.				US Patent US8501944 (2013) BindingDB Entry DOI: 10.7270/Q20Z71W0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM100351 (US10533001, Example Table 9a.4 | US11414410, Table...) Show SMILES NC(=O)[C@@H]1CCCN(C1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1 |r| Show InChI InChI=1S/C20H25N7O2/c21-17(28)12-2-1-9-27(11-12)15-7-5-14(6-8-15)25-20-23-10-16(18(22)29)19(26-20)24-13-3-4-13/h5-8,10,12-13H,1-4,9,11H2,(H2,21,28)(H2,22,29)(H2,23,24,25,26)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a
Portola Pharmaceuticals, Inc. US Patent					Assay Description ATP-site dependent competition binding assay using Ambit KinomeScan Screening kit.				US Patent US8501944 (2013) BindingDB Entry DOI: 10.7270/Q20Z71W0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM100348 (US10533001, Example Table 9a.1 | US11414410, Table...) Show SMILES COCC(=O)N1CCN(CC1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1 Show InChI InChI=1S/C21H27N7O3/c1-31-13-18(29)28-10-8-27(9-11-28)16-6-4-15(5-7-16)25-21-23-12-17(19(22)30)20(26-21)24-14-2-3-14/h4-7,12,14H,2-3,8-11,13H2,1H3,(H2,22,30)(H2,23,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a
Portola Pharmaceuticals, Inc. US Patent					Assay Description ATP-site dependent competition binding assay using Ambit KinomeScan Screening kit.				US Patent US8501944 (2013) BindingDB Entry DOI: 10.7270/Q20Z71W0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM100349 (US10533001, Example Table 9a.2 | US11414410, Table...) Show SMILES CNC(=O)[C@H]1CCCN(C1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1 |r| Show InChI InChI=1S/C21H27N7O2/c1-23-20(30)13-3-2-10-28(12-13)16-8-6-15(7-9-16)26-21-24-11-17(18(22)29)19(27-21)25-14-4-5-14/h6-9,11,13-14H,2-5,10,12H2,1H3,(H2,22,29)(H,23,30)(H2,24,25,26,27)/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a
Portola Pharmaceuticals, Inc. US Patent					Assay Description ATP-site dependent competition binding assay using Ambit KinomeScan Screening kit.				US Patent US8501944 (2013) BindingDB Entry DOI: 10.7270/Q20Z71W0
					More data for this Ligand-Target Pair