Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 7563   

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 [781-1124] (Homo sapiens (Human))	BDBM50193995 (3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...) Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-University Tuebingen					Assay Description In this ELISA-based kinase activity assay, a 96-well assay plate is coated with an artificial polypeptide serving as kinase substrate that contains t...				Cell Chem Biol 23: 1335-1340 (2016) Article DOI: 10.1016/j.chembiol.2016.10.008 BindingDB Entry DOI: 10.7270/Q2WS8S22
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [781-1124] (Homo sapiens (Human))	BDBM202553 ((E/Z)-2-cyano-3-(5-(1-cyclohexyl-1,6-dihydroimidaz...) Show SMILES CN(C)C(=O)C(=C\c1ccc(o1)-c1nc2cnc3[nH]ccc3c2n1C1CCCCC1)\C#N Show InChI InChI=1S/C24H24N6O2/c1-29(2)24(31)15(13-25)12-17-8-9-20(32-17)23-28-19-14-27-22-18(10-11-26-22)21(19)30(23)16-6-4-3-5-7-16/h8-12,14,16H,3-7H2,1-2H3,(H,26,27)/b15-12+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-University Tuebingen					Assay Description In this ELISA-based kinase activity assay, a 96-well assay plate is coated with an artificial polypeptide serving as kinase substrate that contains t...				Cell Chem Biol 23: 1335-1340 (2016) Article DOI: 10.1016/j.chembiol.2016.10.008 BindingDB Entry DOI: 10.7270/Q2WS8S22
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [781-1124] (Homo sapiens (Human))	BDBM202554 ((E/Z)-2-cyano-N,N-dimethyl-3-(5-(1-((1S,2R)-2-meth...) Show SMILES C[C@@H]1CCCC[C@@H]1n1c(nc2cnc3[nH]ccc3c12)-c1ccc(\C=C(/C#N)C(=O)N(C)C)o1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-University Tuebingen					Assay Description In this ELISA-based kinase activity assay, a 96-well assay plate is coated with an artificial polypeptide serving as kinase substrate that contains t...				Cell Chem Biol 23: 1335-1340 (2016) Article DOI: 10.1016/j.chembiol.2016.10.008 BindingDB Entry DOI: 10.7270/Q2WS8S22
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [781-1124] (Homo sapiens (Human))	BDBM202552 ((E)-3-(5-(1-cyclohexyl-1,6-dihydroimidazo[4,5-d]py...) Show SMILES CN(C)C(=O)\C=C\c1ccc(o1)-c1nc2cnc3[nH]ccc3c2n1C1CCCCC1 Show InChI InChI=1S/C23H25N5O2/c1-27(2)20(29)11-9-16-8-10-19(30-16)23-26-18-14-25-22-17(12-13-24-22)21(18)28(23)15-6-4-3-5-7-15/h8-15H,3-7H2,1-2H3,(H,24,25)/b11-9+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-University Tuebingen					Assay Description In this ELISA-based kinase activity assay, a 96-well assay plate is coated with an artificial polypeptide serving as kinase substrate that contains t...				Cell Chem Biol 23: 1335-1340 (2016) Article DOI: 10.1016/j.chembiol.2016.10.008 BindingDB Entry DOI: 10.7270/Q2WS8S22
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [781-1124] (Homo sapiens (Human))	BDBM50426731 (1-cyclohexyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-...) Show SMILES C1CCC(CC1)n1cnc2cnc3[nH]ccc3c12 Show InChI InChI=1S/C14H16N4/c1-2-4-10(5-3-1)18-9-17-12-8-16-14-11(13(12)18)6-7-15-14/h6-10H,1-5H2,(H,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-University Tuebingen					Assay Description In this ELISA-based kinase activity assay, a 96-well assay plate is coated with an artificial polypeptide serving as kinase substrate that contains t...				Cell Chem Biol 23: 1335-1340 (2016) Article DOI: 10.1016/j.chembiol.2016.10.008 BindingDB Entry DOI: 10.7270/Q2WS8S22
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [781-1124] (Homo sapiens (Human))	BDBM202557 ((E)-3-(4-(1-cyclohexyl-1,6-dihydroimidazo[4,5-d]py...) Show SMILES CN(C)C(=O)\C=C\c1ccc(cc1)-c1nc2cnc3[nH]ccc3c2n1C1CCCCC1 Show InChI InChI=1S/C25H27N5O/c1-29(2)22(31)13-10-17-8-11-18(12-9-17)25-28-21-16-27-24-20(14-15-26-24)23(21)30(25)19-6-4-3-5-7-19/h8-16,19H,3-7H2,1-2H3,(H,26,27)/b13-10+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	226	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-University Tuebingen					Assay Description In this ELISA-based kinase activity assay, a 96-well assay plate is coated with an artificial polypeptide serving as kinase substrate that contains t...				Cell Chem Biol 23: 1335-1340 (2016) Article DOI: 10.1016/j.chembiol.2016.10.008 BindingDB Entry DOI: 10.7270/Q2WS8S22
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [781-1124] (Homo sapiens (Human))	BDBM202555 ((E)-3-(3-(1-cyclohexyl-1,6-dihydroimidazo[4,5-d]py...) Show SMILES NC(=O)\C=C\c1cccc(c1)-c1nc2cnc3[nH]ccc3c2n1C1CCCCC1 Show InChI InChI=1S/C23H23N5O/c24-20(29)10-9-15-5-4-6-16(13-15)23-27-19-14-26-22-18(11-12-25-22)21(19)28(23)17-7-2-1-3-8-17/h4-6,9-14,17H,1-3,7-8H2,(H2,24,29)(H,25,26)/b10-9+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-University Tuebingen					Assay Description In this ELISA-based kinase activity assay, a 96-well assay plate is coated with an artificial polypeptide serving as kinase substrate that contains t...				Cell Chem Biol 23: 1335-1340 (2016) Article DOI: 10.1016/j.chembiol.2016.10.008 BindingDB Entry DOI: 10.7270/Q2WS8S22
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [781-1124] (Homo sapiens (Human))	BDBM202556 ((E)-3-(3-(1-cyclohexyl-1,6-dihydroimidazo[4,5-d]py...) Show SMILES CN(C)C(=O)\C=C\c1cccc(c1)-c1nc2cnc3[nH]ccc3c2n1C1CCCCC1 Show InChI InChI=1S/C25H27N5O/c1-29(2)22(31)12-11-17-7-6-8-18(15-17)25-28-21-16-27-24-20(13-14-26-24)23(21)30(25)19-9-4-3-5-10-19/h6-8,11-16,19H,3-5,9-10H2,1-2H3,(H,26,27)/b12-11+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	548	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-University Tuebingen					Assay Description In this ELISA-based kinase activity assay, a 96-well assay plate is coated with an artificial polypeptide serving as kinase substrate that contains t...				Cell Chem Biol 23: 1335-1340 (2016) Article DOI: 10.1016/j.chembiol.2016.10.008 BindingDB Entry DOI: 10.7270/Q2WS8S22
					More data for this Ligand-Target Pair