Compile Data Set for Download or QSAR

Found 72589 hits with Last Name = 'li' and Initial = 'h'   

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))	BDBM112574 (US8618103, I-70) Show SMILES CC(C)CS(=O)(=O)N1CCC[C@@H](C1)Nc1nc(N)ncc1-c1cnc2[nH]ccc2n1 |r| Show InChI InChI=1S/C19H26N8O2S/c1-12(2)11-30(28,29)27-7-3-4-13(10-27)24-17-14(8-23-19(20)26-17)16-9-22-18-15(25-16)5-6-21-18/h5-6,8-9,12-13H,3-4,7,10-11H2,1-2H3,(H,21,22)(H3,20,23,24,26)/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.000578	n/a	0.00115	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.				US Patent US8618103 (2013) BindingDB Entry DOI: 10.7270/Q25H7DZH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM112546 (US8618103, I-42) Show SMILES O=S(=O)(CC#N)N1CCC[C@@H](C1)Nc1ncccc1-c1cnc2[nH]ccc2n1 |r| Show InChI InChI=1S/C18H19N7O2S/c19-6-10-28(26,27)25-9-2-3-13(12-25)23-17-14(4-1-7-20-17)16-11-22-18-15(24-16)5-8-21-18/h1,4-5,7-8,11,13H,2-3,9-10,12H2,(H,20,23)(H,21,22)/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.000748	n/a	0.00149	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.				US Patent US8618103 (2013) BindingDB Entry DOI: 10.7270/Q25H7DZH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM112576 (US8618103, I-72) Show SMILES CC(C)CS(=O)(=O)N1CCC[C@@H](C1)Nc1nc(ncc1-c1cnc2[nH]ccc2n1)S(C)(=O)=O |r| Show InChI InChI=1S/C20H27N7O4S2/c1-13(2)12-33(30,31)27-8-4-5-14(11-27)24-18-15(9-23-20(26-18)32(3,28)29)17-10-22-19-16(25-17)6-7-21-19/h6-7,9-10,13-14H,4-5,8,11-12H2,1-3H3,(H,21,22)(H,23,24,26)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.000940	n/a	0.00188	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.				US Patent US8618103 (2013) BindingDB Entry DOI: 10.7270/Q25H7DZH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM112573 (US8618103, I-69) Show SMILES CC(C)CS(=O)(=O)N1CCC[C@@H](C1)Nc1ncncc1-c1cnc2[nH]ccc2n1 |r| Show InChI InChI=1S/C19H25N7O2S/c1-13(2)11-29(27,28)26-7-3-4-14(10-26)24-18-15(8-20-12-23-18)17-9-22-19-16(25-17)5-6-21-19/h5-6,8-9,12-14H,3-4,7,10-11H2,1-2H3,(H,21,22)(H,20,23,24)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.000980	n/a	0.00196	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.				US Patent US8618103 (2013) BindingDB Entry DOI: 10.7270/Q25H7DZH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM112601 (US8618103, I-97) Show SMILES CN1CCN(CC1)c1ncc(c(N[C@H]2CCCN(C2)S(=O)(=O)CCC(C)(C)C)n1)-c1cnc2[nH]ccc2n1 |r| Show InChI InChI=1S/C26H39N9O2S/c1-26(2,3)8-15-38(36,37)35-10-5-6-19(18-35)30-23-20(22-17-28-24-21(31-22)7-9-27-24)16-29-25(32-23)34-13-11-33(4)12-14-34/h7,9,16-17,19H,5-6,8,10-15,18H2,1-4H3,(H,27,28)(H,29,30,32)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.00109	n/a	0.00218	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.				US Patent US8618103 (2013) BindingDB Entry DOI: 10.7270/Q25H7DZH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM112536 (US8618103, I-32) Show SMILES CC(C)(C)CS(=O)(=O)N1CCC[C@@H](C1)Nc1ncccc1-c1cnc2[nH]ccc2n1 |r| Show InChI InChI=1S/C21H28N6O2S/c1-21(2,3)14-30(28,29)27-11-5-6-15(13-27)25-19-16(7-4-9-22-19)18-12-24-20-17(26-18)8-10-23-20/h4,7-10,12,15H,5-6,11,13-14H2,1-3H3,(H,22,25)(H,23,24)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.00120	n/a	0.00240	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.				US Patent US8618103 (2013) BindingDB Entry DOI: 10.7270/Q25H7DZH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM112583 (US8618103, I-79) Show SMILES CSc1ncc(c(N[C@H]2CCCN(C2)S(=O)(=O)CCC(C)(C)C)n1)-c1cnc2[nH]ccc2n1 |r| Show InChI InChI=1S/C22H31N7O2S2/c1-22(2,3)8-11-33(30,31)29-10-5-6-15(14-29)26-19-16(12-25-21(28-19)32-4)18-13-24-20-17(27-18)7-9-23-20/h7,9,12-13,15H,5-6,8,10-11,14H2,1-4H3,(H,23,24)(H,25,26,28)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.00121	n/a	0.00242	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.				US Patent US8618103 (2013) BindingDB Entry DOI: 10.7270/Q25H7DZH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM112616 (US8618103, I-112) Show SMILES C[C@H]1C[C@@H](CN(C1)S(=O)(=O)CC#N)Nc1nc(ncc1-c1cnc2[nH]ccc2n1)N1CCN(C)CC1 |r| Show InChI InChI=1S/C23H30N10O2S/c1-16-11-17(15-33(14-16)36(34,35)10-4-24)28-21-18(20-13-26-22-19(29-20)3-5-25-22)12-27-23(30-21)32-8-6-31(2)7-9-32/h3,5,12-13,16-17H,6-11,14-15H2,1-2H3,(H,25,26)(H,27,28,30)/t16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.00207	n/a	0.00415	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.				US Patent US8618103 (2013) BindingDB Entry DOI: 10.7270/Q25H7DZH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM112568 (US8618103, I-64) Show SMILES CC(C)CS(=O)(=O)N1CC[C@@H](O)[C@@H](C1)Nc1ncccc1-c1cnc2[nH]ccc2n1 |r| Show InChI InChI=1S/C20H26N6O3S/c1-13(2)12-30(28,29)26-9-6-18(27)17(11-26)25-19-14(4-3-7-21-19)16-10-23-20-15(24-16)5-8-22-20/h3-5,7-8,10,13,17-18,27H,6,9,11-12H2,1-2H3,(H,21,25)(H,22,23)/t17-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.00210	n/a	0.00421	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.				US Patent US8618103 (2013) BindingDB Entry DOI: 10.7270/Q25H7DZH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM112575 (US8618103, I-71) Show SMILES CC(C)CS(=O)(=O)N1CCC[C@@H](C1)Nc1nc(ncc1-c1cnc2[nH]ccc2n1)N(C)C |r| Show InChI InChI=1S/C21H30N8O2S/c1-14(2)13-32(30,31)29-9-5-6-15(12-29)25-19-16(10-24-21(27-19)28(3)4)18-11-23-20-17(26-18)7-8-22-20/h7-8,10-11,14-15H,5-6,9,12-13H2,1-4H3,(H,22,23)(H,24,25,27)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.00248	n/a	0.00496	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.				US Patent US8618103 (2013) BindingDB Entry DOI: 10.7270/Q25H7DZH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM112622 (US8618103, I-118) Show SMILES C[C@H]1C[C@@H](CN(C1)S(=O)(=O)CC#N)Nc1ncccc1-c1cnc2[nH]ccc2n1 |r| Show InChI InChI=1S/C19H21N7O2S/c1-13-9-14(12-26(11-13)29(27,28)8-5-20)24-18-15(3-2-6-21-18)17-10-23-19-16(25-17)4-7-22-19/h2-4,6-7,10,13-14H,8-9,11-12H2,1H3,(H,21,24)(H,22,23)/t13-,14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.00260	n/a	0.00521	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.				US Patent US8618103 (2013) BindingDB Entry DOI: 10.7270/Q25H7DZH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM112597 (US8618103, I-93) Show SMILES CS(=O)(=O)N1CCC[C@@H](C1)Nc1nc(ncc1-c1cnc2[nH]ccc2n1)N1CCC(CC(N)=O)CC1 |r| Show InChI InChI=1S/C23H31N9O3S/c1-36(34,35)32-8-2-3-16(14-32)28-21-17(19-13-26-22-18(29-19)4-7-25-22)12-27-23(30-21)31-9-5-15(6-10-31)11-20(24)33/h4,7,12-13,15-16H,2-3,5-6,8-11,14H2,1H3,(H2,24,33)(H,25,26)(H,27,28,30)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.00265	n/a	0.00530	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.				US Patent US8618103 (2013) BindingDB Entry DOI: 10.7270/Q25H7DZH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM112614 (US8618103, I-110) Show SMILES CC(C)CS(=O)(=O)N1CCC[C@@H](C1)Nc1nc(ncc1-c1cnc2[nH]ccc2n1)N1CCN(C)CC1 |r| Show InChI InChI=1S/C24H35N9O2S/c1-17(2)16-36(34,35)33-8-4-5-18(15-33)28-22-19(21-14-26-23-20(29-21)6-7-25-23)13-27-24(30-22)32-11-9-31(3)10-12-32/h6-7,13-14,17-18H,4-5,8-12,15-16H2,1-3H3,(H,25,26)(H,27,28,30)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.00337	n/a	0.00675	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.				US Patent US8618103 (2013) BindingDB Entry DOI: 10.7270/Q25H7DZH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM112530 (US8618103, I-26) Show SMILES CC(C)CS(=O)(=O)N1C[C@@H](C)C[C@@H](C1)Nc1ncccc1-c1cnc2[nH]ccc2n1 |r| Show InChI InChI=1S/C21H28N6O2S/c1-14(2)13-30(28,29)27-11-15(3)9-16(12-27)25-20-17(5-4-7-22-20)19-10-24-21-18(26-19)6-8-23-21/h4-8,10,14-16H,9,11-13H2,1-3H3,(H,22,25)(H,23,24)/t15-,16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.00344	n/a	0.00670	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.				US Patent US8618103 (2013) BindingDB Entry DOI: 10.7270/Q25H7DZH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM112542 (US8618103, I-38) Show SMILES O=S(=O)(CC1CC1)N1CCC[C@@H](C1)Nc1ncccc1-c1cnc2[nH]ccc2n1 |r| Show InChI InChI=1S/C20H24N6O2S/c27-29(28,13-14-5-6-14)26-10-2-3-15(12-26)24-19-16(4-1-8-21-19)18-11-23-20-17(25-18)7-9-22-20/h1,4,7-9,11,14-15H,2-3,5-6,10,12-13H2,(H,21,24)(H,22,23)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.00373	n/a	0.00747	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.				US Patent US8618103 (2013) BindingDB Entry DOI: 10.7270/Q25H7DZH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM112569 (US8618103, I-65) Show SMILES CS(=O)(=O)N1CC[C@@H](O)[C@@H](C1)Nc1ncccc1-c1cnc2[nH]ccc2n1 |r| Show InChI InChI=1S/C17H20N6O3S/c1-27(25,26)23-8-5-15(24)14(10-23)22-16-11(3-2-6-18-16)13-9-20-17-12(21-13)4-7-19-17/h2-4,6-7,9,14-15,24H,5,8,10H2,1H3,(H,18,22)(H,19,20)/t14-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.00380	n/a	0.00762	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.				US Patent US8618103 (2013) BindingDB Entry DOI: 10.7270/Q25H7DZH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM112567 (US8618103, I-63) Show SMILES CS(=O)(=O)N1CCC[C@@H](C1)Nc1ncccc1-c1cnc2[nH]cc(Cl)c2n1 |r| Show InChI InChI=1S/C17H19ClN6O2S/c1-27(25,26)24-7-3-4-11(10-24)22-16-12(5-2-6-19-16)14-9-21-17-15(23-14)13(18)8-20-17/h2,5-6,8-9,11H,3-4,7,10H2,1H3,(H,19,22)(H,20,21)/t11-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.00386	n/a	0.00773	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.				US Patent US8618103 (2013) BindingDB Entry DOI: 10.7270/Q25H7DZH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM112529 (US8618103, I-25) Show SMILES CCCS(=O)(=O)N1C[C@@H](C)C[C@@H](C1)Nc1ncccc1-c1cnc2[nH]ccc2n1 |r| Show InChI InChI=1S/C20H26N6O2S/c1-3-9-29(27,28)26-12-14(2)10-15(13-26)24-19-16(5-4-7-21-19)18-11-23-20-17(25-18)6-8-22-20/h4-8,11,14-15H,3,9-10,12-13H2,1-2H3,(H,21,24)(H,22,23)/t14-,15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.00398	n/a	0.00776	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.				US Patent US8618103 (2013) BindingDB Entry DOI: 10.7270/Q25H7DZH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM112589 (US8618103, I-85) Show SMILES CS(=O)(=O)N1CCC[C@@H](C1)Nc1nc(NCCO)ncc1-c1cnc2[nH]ccc2n1 |r| Show InChI InChI=1S/C18H24N8O3S/c1-30(28,29)26-7-2-3-12(11-26)23-16-13(9-22-18(25-16)20-6-8-27)15-10-21-17-14(24-15)4-5-19-17/h4-5,9-10,12,27H,2-3,6-8,11H2,1H3,(H,19,21)(H2,20,22,23,25)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.00402	n/a	0.00805	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.				US Patent US8618103 (2013) BindingDB Entry DOI: 10.7270/Q25H7DZH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM112599 (US8618103, I-95) Show SMILES CC[C@H](CO)Nc1ncc(c(N[C@H]2CCCN(C2)S(C)(=O)=O)n1)-c1cnc2[nH]ccc2n1 |r| Show InChI InChI=1S/C20H28N8O3S/c1-3-13(12-29)25-20-23-9-15(17-10-22-19-16(26-17)6-7-21-19)18(27-20)24-14-5-4-8-28(11-14)32(2,30)31/h6-7,9-10,13-14,29H,3-5,8,11-12H2,1-2H3,(H,21,22)(H2,23,24,25,27)/t13-,14+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.00429	n/a	0.00858	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.				US Patent US8618103 (2013) BindingDB Entry DOI: 10.7270/Q25H7DZH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM112506 (US8618103, I-2) Show SMILES CS(=O)(=O)N1CCC[C@H](C1)Nc1ncccc1-c1cnc2[nH]ccc2n1 |r| Show InChI InChI=1S/C17H20N6O2S/c1-26(24,25)23-9-3-4-12(11-23)21-16-13(5-2-7-18-16)15-10-20-17-14(22-15)6-8-19-17/h2,5-8,10,12H,3-4,9,11H2,1H3,(H,18,21)(H,19,20)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.00429	n/a	0.00837	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.				US Patent US8618103 (2013) BindingDB Entry DOI: 10.7270/Q25H7DZH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM112577 (US8618103, I-73) Show SMILES CSc1ncc(c(N[C@H]2CCCN(C2)S(=O)(=O)CC(C)C)n1)-c1cnc2[nH]ccc2n1 |r| Show InChI InChI=1S/C20H27N7O2S2/c1-13(2)12-31(28,29)27-8-4-5-14(11-27)24-18-15(9-23-20(26-18)30-3)17-10-22-19-16(25-17)6-7-21-19/h6-7,9-10,13-14H,4-5,8,11-12H2,1-3H3,(H,21,22)(H,23,24,26)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.00448	n/a	0.00897	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.				US Patent US8618103 (2013) BindingDB Entry DOI: 10.7270/Q25H7DZH
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Bos taurus)	BDBM50400133 (CHEMBL2178987) Show SMILES Cc1c(C)c(=O)oc2cc(OCC(=O)NN)ccc12 Show InChI InChI=1S/C13H14N2O4/c1-7-8(2)13(17)19-11-5-9(3-4-10(7)11)18-6-12(16)15-14/h3-5H,6,14H2,1-2H3,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Research Center Curated by ChEMBL					Assay Description Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...				J Med Chem 55: 10424-36 (2012) Article DOI: 10.1021/jm301014y BindingDB Entry DOI: 10.7270/Q2G73FWJ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Bos taurus)	BDBM50400125 (CHEMBL2178426) Show SMILES CCN(CC)CCSc1nnc(COc2ccc3c(C)c(C)c(=O)oc3c2)s1 Show InChI InChI=1S/C20H25N3O3S2/c1-5-23(6-2)9-10-27-20-22-21-18(28-20)12-25-15-7-8-16-13(3)14(4)19(24)26-17(16)11-15/h7-8,11H,5-6,9-10,12H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Research Center Curated by ChEMBL					Assay Description Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...				J Med Chem 55: 10424-36 (2012) Article DOI: 10.1021/jm301014y BindingDB Entry DOI: 10.7270/Q2G73FWJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM112578 (US8618103, I-74) Show SMILES CC(C)CS(=O)(=O)N1CCC[C@@H](C1)Nc1nc(ncc1-c1cnc2[nH]ccc2n1)N1CCOCC1 |r| Show InChI InChI=1S/C23H32N8O3S/c1-16(2)15-35(32,33)31-7-3-4-17(14-31)27-21-18(20-13-25-22-19(28-20)5-6-24-22)12-26-23(29-21)30-8-10-34-11-9-30/h5-6,12-13,16-17H,3-4,7-11,14-15H2,1-2H3,(H,24,25)(H,26,27,29)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.00525	n/a	0.0105	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.				US Patent US8618103 (2013) BindingDB Entry DOI: 10.7270/Q25H7DZH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM112590 (US8618103, I-86) Show SMILES COCCNc1ncc(c(N[C@H]2CCCN(C2)S(C)(=O)=O)n1)-c1cnc2[nH]ccc2n1 |r| Show InChI InChI=1S/C19H26N8O3S/c1-30-9-7-21-19-23-10-14(16-11-22-18-15(25-16)5-6-20-18)17(26-19)24-13-4-3-8-27(12-13)31(2,28)29/h5-6,10-11,13H,3-4,7-9,12H2,1-2H3,(H,20,22)(H2,21,23,24,26)/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.00535	n/a	0.0107	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.				US Patent US8618103 (2013) BindingDB Entry DOI: 10.7270/Q25H7DZH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM112509 (US8618103, I-5) Show SMILES CS(=O)(=O)N1CC[C@H](C1)Nc1ncccc1-c1cnc2[nH]ccc2n1 |r| Show InChI InChI=1S/C16H18N6O2S/c1-25(23,24)22-8-5-11(10-22)20-15-12(3-2-6-17-15)14-9-19-16-13(21-14)4-7-18-16/h2-4,6-7,9,11H,5,8,10H2,1H3,(H,17,20)(H,18,19)/t11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.00537	n/a	0.0105	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.				US Patent US8618103 (2013) BindingDB Entry DOI: 10.7270/Q25H7DZH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM112598 (US8618103, I-94) Show SMILES CC[C@@H](CO)Nc1ncc(c(N[C@H]2CCCN(C2)S(C)(=O)=O)n1)-c1cnc2[nH]ccc2n1 |r| Show InChI InChI=1S/C20H28N8O3S/c1-3-13(12-29)25-20-23-9-15(17-10-22-19-16(26-17)6-7-21-19)18(27-20)24-14-5-4-8-28(11-14)32(2,30)31/h6-7,9-10,13-14,29H,3-5,8,11-12H2,1-2H3,(H,21,22)(H2,23,24,25,27)/t13-,14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.00548	n/a	0.0110	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.				US Patent US8618103 (2013) BindingDB Entry DOI: 10.7270/Q25H7DZH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM112565 (US8618103, I-61) Show SMILES Cc1c[nH]c2ncc(nc12)-c1cccnc1N[C@H]1CCCN(C1)S(C)(=O)=O |r| Show InChI InChI=1S/C18H22N6O2S/c1-12-9-20-18-16(12)23-15(10-21-18)14-6-3-7-19-17(14)22-13-5-4-8-24(11-13)27(2,25)26/h3,6-7,9-10,13H,4-5,8,11H2,1-2H3,(H,19,22)(H,20,21)/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.00587	n/a	0.0117	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.				US Patent US8618103 (2013) BindingDB Entry DOI: 10.7270/Q25H7DZH
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Bos taurus)	BDBM50400114 (CHEMBL2178437) Show SMILES Cc1cc(=O)oc2cc(OCc3n[nH]c(=S)n3-c3ccc(Cl)cc3)ccc12 Show InChI InChI=1S/C19H14ClN3O3S/c1-11-8-18(24)26-16-9-14(6-7-15(11)16)25-10-17-21-22-19(27)23(17)13-4-2-12(20)3-5-13/h2-9H,10H2,1H3,(H,22,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Research Center Curated by ChEMBL					Assay Description Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...				J Med Chem 55: 10424-36 (2012) Article DOI: 10.1021/jm301014y BindingDB Entry DOI: 10.7270/Q2G73FWJ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Bos taurus)	BDBM50400115 (CHEMBL2178436) Show SMILES Cc1c(C)c(=O)oc2cc(OCC(=O)Nn3c(O)csc3=Nc3ccc(Cl)cc3)ccc12 |w:21.22| Show InChI InChI=1S/C22H18ClN3O5S/c1-12-13(2)21(29)31-18-9-16(7-8-17(12)18)30-10-19(27)25-26-20(28)11-32-22(26)24-15-5-3-14(23)4-6-15/h3-9,11,28H,10H2,1-2H3,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Research Center Curated by ChEMBL					Assay Description Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...				J Med Chem 55: 10424-36 (2012) Article DOI: 10.1021/jm301014y BindingDB Entry DOI: 10.7270/Q2G73FWJ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Bos taurus)	BDBM50400131 (CHEMBL2178989) Show SMILES Cc1c(C)c(=O)oc2cc(OCc3nnc(S)o3)ccc12 Show InChI InChI=1S/C14H12N2O4S/c1-7-8(2)13(17)19-11-5-9(3-4-10(7)11)18-6-12-15-16-14(21)20-12/h3-5H,6H2,1-2H3,(H,16,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Research Center Curated by ChEMBL					Assay Description Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...				J Med Chem 55: 10424-36 (2012) Article DOI: 10.1021/jm301014y BindingDB Entry DOI: 10.7270/Q2G73FWJ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Bos taurus)	BDBM50400129 (CHEMBL2178991) Show SMILES Cc1c(C)c(=O)oc2cc(OCc3nnc(S)s3)ccc12 Show InChI InChI=1S/C14H12N2O3S2/c1-7-8(2)13(17)19-11-5-9(3-4-10(7)11)18-6-12-15-16-14(20)21-12/h3-5H,6H2,1-2H3,(H,16,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Research Center Curated by ChEMBL					Assay Description Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...				J Med Chem 55: 10424-36 (2012) Article DOI: 10.1021/jm301014y BindingDB Entry DOI: 10.7270/Q2G73FWJ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Bos taurus)	BDBM50400123 (CHEMBL2178428) Show SMILES Cc1c(C)c(=O)oc2cc(OCc3nnc(SCCN4CCOCC4)o3)ccc12 Show InChI InChI=1S/C20H23N3O5S/c1-13-14(2)19(24)27-17-11-15(3-4-16(13)17)26-12-18-21-22-20(28-18)29-10-7-23-5-8-25-9-6-23/h3-4,11H,5-10,12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Research Center Curated by ChEMBL					Assay Description Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...				J Med Chem 55: 10424-36 (2012) Article DOI: 10.1021/jm301014y BindingDB Entry DOI: 10.7270/Q2G73FWJ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Bos taurus)	BDBM50400121 (CHEMBL2178430) Show SMILES Cc1c(C)c(=O)oc2cc(OCc3nnc(SCCN4CCOCC4)s3)ccc12 Show InChI InChI=1S/C20H23N3O4S2/c1-13-14(2)19(24)27-17-11-15(3-4-16(13)17)26-12-18-21-22-20(29-18)28-10-7-23-5-8-25-9-6-23/h3-4,11H,5-10,12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Research Center Curated by ChEMBL					Assay Description Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...				J Med Chem 55: 10424-36 (2012) Article DOI: 10.1021/jm301014y BindingDB Entry DOI: 10.7270/Q2G73FWJ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Bos taurus)	BDBM50400118 (CHEMBL2178433) Show SMILES Cc1cc(=O)oc2cc(OCc3nnc(Nc4ccc(Cl)cc4)s3)ccc12 Show InChI InChI=1S/C19H14ClN3O3S/c1-11-8-18(24)26-16-9-14(6-7-15(11)16)25-10-17-22-23-19(27-17)21-13-4-2-12(20)3-5-13/h2-9H,10H2,1H3,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Research Center Curated by ChEMBL					Assay Description Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...				J Med Chem 55: 10424-36 (2012) Article DOI: 10.1021/jm301014y BindingDB Entry DOI: 10.7270/Q2G73FWJ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Bos taurus)	BDBM50400103 (CHEMBL2178985) Show SMILES Cc1c(C)c(=O)oc2cc(OCC(=O)NN3C(SCC3=O)c3ccc(Cl)cc3)ccc12 Show InChI InChI=1S/C22H19ClN2O5S/c1-12-13(2)22(28)30-18-9-16(7-8-17(12)18)29-10-19(26)24-25-20(27)11-31-21(25)14-3-5-15(23)6-4-14/h3-9,21H,10-11H2,1-2H3,(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Research Center Curated by ChEMBL					Assay Description Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...				J Med Chem 55: 10424-36 (2012) Article DOI: 10.1021/jm301014y BindingDB Entry DOI: 10.7270/Q2G73FWJ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Bos taurus)	BDBM50400105 (CHEMBL2178983) Show SMILES CC(=NNC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1)c1ccc(Cl)cc1 |w:2.2| Show InChI InChI=1S/C21H19ClN2O4/c1-12-13(2)21(26)28-19-10-17(8-9-18(12)19)27-11-20(25)24-23-14(3)15-4-6-16(22)7-5-15/h4-10H,11H2,1-3H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Research Center Curated by ChEMBL					Assay Description Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...				J Med Chem 55: 10424-36 (2012) Article DOI: 10.1021/jm301014y BindingDB Entry DOI: 10.7270/Q2G73FWJ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Bos taurus)	BDBM50400107 (CHEMBL2178981) Show SMILES Cc1c(C)c(=O)oc2cc(OCC(=O)N\N=C\c3ccc(Cl)cc3)ccc12 Show InChI InChI=1S/C20H17ClN2O4/c1-12-13(2)20(25)27-18-9-16(7-8-17(12)18)26-11-19(24)23-22-10-14-3-5-15(21)6-4-14/h3-10H,11H2,1-2H3,(H,23,24)/b22-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Research Center Curated by ChEMBL					Assay Description Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...				J Med Chem 55: 10424-36 (2012) Article DOI: 10.1021/jm301014y BindingDB Entry DOI: 10.7270/Q2G73FWJ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Bos taurus)	BDBM50400109 (CHEMBL2178442) Show SMILES Cc1c(C)c(=O)oc2cc(OCc3nnc(SCCN4CCOCC4)n3-c3ccc(Cl)cc3)ccc12 Show InChI InChI=1S/C26H27ClN4O4S/c1-17-18(2)25(32)35-23-15-21(7-8-22(17)23)34-16-24-28-29-26(31(24)20-5-3-19(27)4-6-20)36-14-11-30-9-12-33-13-10-30/h3-8,15H,9-14,16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Research Center Curated by ChEMBL					Assay Description Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...				J Med Chem 55: 10424-36 (2012) Article DOI: 10.1021/jm301014y BindingDB Entry DOI: 10.7270/Q2G73FWJ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Bos taurus)	BDBM50400110 (CHEMBL2178441) Show SMILES Cc1cc(=O)oc2cc(OCc3nnc(SCCN4CCOCC4)n3-c3ccc(Cl)cc3)ccc12 Show InChI InChI=1S/C25H25ClN4O4S/c1-17-14-24(31)34-22-15-20(6-7-21(17)22)33-16-23-27-28-25(30(23)19-4-2-18(26)3-5-19)35-13-10-29-8-11-32-12-9-29/h2-7,14-15H,8-13,16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Research Center Curated by ChEMBL					Assay Description Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...				J Med Chem 55: 10424-36 (2012) Article DOI: 10.1021/jm301014y BindingDB Entry DOI: 10.7270/Q2G73FWJ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Bos taurus)	BDBM50400111 (CHEMBL2178440) Show SMILES CCN(CC)CCSc1nnc(COc2ccc3c(C)c(C)c(=O)oc3c2)n1-c1ccc(Cl)cc1 Show InChI InChI=1S/C26H29ClN4O3S/c1-5-30(6-2)13-14-35-26-29-28-24(31(26)20-9-7-19(27)8-10-20)16-33-21-11-12-22-17(3)18(4)25(32)34-23(22)15-21/h7-12,15H,5-6,13-14,16H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Research Center Curated by ChEMBL					Assay Description Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...				J Med Chem 55: 10424-36 (2012) Article DOI: 10.1021/jm301014y BindingDB Entry DOI: 10.7270/Q2G73FWJ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Bos taurus)	BDBM50400112 (CHEMBL2178439) Show SMILES CCN(CC)CCSc1nnc(COc2ccc3c(C)cc(=O)oc3c2)n1-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H27ClN4O3S/c1-4-29(5-2)12-13-34-25-28-27-23(30(25)19-8-6-18(26)7-9-19)16-32-20-10-11-21-17(3)14-24(31)33-22(21)15-20/h6-11,14-15H,4-5,12-13,16H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Research Center Curated by ChEMBL					Assay Description Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...				J Med Chem 55: 10424-36 (2012) Article DOI: 10.1021/jm301014y BindingDB Entry DOI: 10.7270/Q2G73FWJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM112606 (US8618103, I-102) Show SMILES CS(=O)(=O)N1CCC[C@@H](C1)Nc1nc(ncc1-c1cnc2[nH]ccc2n1)N1CC(C1)C#N |r| Show InChI InChI=1S/C20H23N9O2S/c1-32(30,31)29-6-2-3-14(12-29)25-18-15(17-9-23-19-16(26-17)4-5-22-19)8-24-20(27-18)28-10-13(7-21)11-28/h4-5,8-9,13-14H,2-3,6,10-12H2,1H3,(H,22,23)(H,24,25,27)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.00625	n/a	0.0125	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.				US Patent US8618103 (2013) BindingDB Entry DOI: 10.7270/Q25H7DZH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM112510 (US8618103, I-6) Show SMILES CC(=O)N1CCC[C@H](C1)Nc1ncccc1-c1cnc2[nH]ccc2n1 |r| Show InChI InChI=1S/C18H20N6O/c1-12(25)24-9-3-4-13(11-24)22-17-14(5-2-7-19-17)16-10-21-18-15(23-16)6-8-20-18/h2,5-8,10,13H,3-4,9,11H2,1H3,(H,19,22)(H,20,21)/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.00657	n/a	0.0128	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.				US Patent US8618103 (2013) BindingDB Entry DOI: 10.7270/Q25H7DZH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM112607 (US8618103, I-103) Show SMILES CS(=O)(=O)N1CCC[C@@H](C1)Nc1nc(NC2CCC(CC2)C#N)ncc1-c1cnc2[nH]ccc2n1 |r,wD:8.10,(4.63,8.38,;4.23,6.89,;5.71,7.29,;3.14,7.98,;3.83,5.41,;4.92,4.32,;4.52,2.83,;3.03,2.43,;1.94,3.52,;2.34,5.01,;.45,3.12,;.06,1.63,;1.15,.54,;.75,-.94,;1.84,-2.03,;1.44,-3.52,;-.05,-3.92,;-.45,-5.41,;.64,-6.49,;2.13,-6.1,;2.53,-4.61,;.24,-7.98,;-1.25,-8.38,;-.74,-1.34,;-1.83,-.25,;-1.43,1.23,;-2.52,2.32,;-3.98,1.85,;-5.13,2.88,;-4.81,4.38,;-5.71,5.63,;-4.81,6.88,;-3.34,6.4,;-3.34,4.86,;-2.2,3.83,)| Show InChI InChI=1S/C23H29N9O2S/c1-35(33,34)32-10-2-3-17(14-32)28-21-18(20-13-26-22-19(30-20)8-9-25-22)12-27-23(31-21)29-16-6-4-15(11-24)5-7-16/h8-9,12-13,15-17H,2-7,10,14H2,1H3,(H,25,26)(H2,27,28,29,31)/t15?,16?,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.00679	n/a	0.0136	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.				US Patent US8618103 (2013) BindingDB Entry DOI: 10.7270/Q25H7DZH
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Bos taurus)	BDBM50400119 (CHEMBL2178432) Show SMILES Cc1c(C)c(=O)oc2cc(OCC(=O)NNC(=S)Nc3ccc(Cl)cc3)ccc12 Show InChI InChI=1S/C20H18ClN3O4S/c1-11-12(2)19(26)28-17-9-15(7-8-16(11)17)27-10-18(25)23-24-20(29)22-14-5-3-13(21)4-6-14/h3-9H,10H2,1-2H3,(H,23,25)(H2,22,24,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Research Center Curated by ChEMBL					Assay Description Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...				J Med Chem 55: 10424-36 (2012) Article DOI: 10.1021/jm301014y BindingDB Entry DOI: 10.7270/Q2G73FWJ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Bos taurus)	BDBM50400120 (CHEMBL2178431) Show SMILES Cc1cc(=O)oc2cc(OCC(=O)NNC(=S)Nc3ccc(Cl)cc3)ccc12 Show InChI InChI=1S/C19H16ClN3O4S/c1-11-8-18(25)27-16-9-14(6-7-15(11)16)26-10-17(24)22-23-19(28)21-13-4-2-12(20)3-5-13/h2-9H,10H2,1H3,(H,22,24)(H2,21,23,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Research Center Curated by ChEMBL					Assay Description Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...				J Med Chem 55: 10424-36 (2012) Article DOI: 10.1021/jm301014y BindingDB Entry DOI: 10.7270/Q2G73FWJ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Bos taurus)	BDBM50400128 (CHEMBL2178992) Show SMILES CCN(CC)CCSc1nnc(COc2ccc3c(C)cc(=O)oc3c2)o1 Show InChI InChI=1S/C19H23N3O4S/c1-4-22(5-2)8-9-27-19-21-20-17(26-19)12-24-14-6-7-15-13(3)10-18(23)25-16(15)11-14/h6-7,10-11H,4-5,8-9,12H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Research Center Curated by ChEMBL					Assay Description Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...				J Med Chem 55: 10424-36 (2012) Article DOI: 10.1021/jm301014y BindingDB Entry DOI: 10.7270/Q2G73FWJ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Bos taurus)	BDBM50400124 (CHEMBL2178427) Show SMILES Cc1cc(=O)oc2cc(OCc3nnc(SCCN4CCOCC4)o3)ccc12 Show InChI InChI=1S/C19H21N3O5S/c1-13-10-18(23)26-16-11-14(2-3-15(13)16)25-12-17-20-21-19(27-17)28-9-6-22-4-7-24-8-5-22/h2-3,10-11H,4-9,12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Research Center Curated by ChEMBL					Assay Description Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...				J Med Chem 55: 10424-36 (2012) Article DOI: 10.1021/jm301014y BindingDB Entry DOI: 10.7270/Q2G73FWJ
					More data for this Ligand-Target Pair

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