Compile Data Set for Download or QSAR

Found 1735 hits with Last Name = 'tan' and Initial = 'q'   

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
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM35653 (pyrimidylpyrrole, 11a) Show SMILES Cc1ccccc1Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C25H24ClN5O2/c1-15-6-3-4-9-20(15)30-25-28-12-16(2)23(31-25)18-11-21(27-13-18)24(33)29-22(14-32)17-7-5-8-19(26)10-17/h3-13,22,27,32H,14H2,1-2H3,(H,29,33)(H,28,30,31)/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<2	<-50.5	n/a	n/a	n/a	n/a	n/a	7.5	30
Vertex					Assay Description A coupled spectrophotometric assay was used in which ADP generated by kinase was converted to ATP with the concomitant production of pyruvate from PE...				J Med Chem 52: 6362-8 (2009) Article DOI: 10.1021/jm900630q BindingDB Entry DOI: 10.7270/Q2D798SS
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM15645 (N-((S)-1-(3-Chloro-4-fluorophenyl)-2-hydroxyethyl)...) Show SMILES OC[C@@H](NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1ccc(F)c(Cl)c1 |r| Show InChI InChI=1S/C22H17Cl2FN4O2/c23-15-3-1-2-12(6-15)16-10-27-29-21(16)14-8-19(26-9-14)22(31)28-20(11-30)13-4-5-18(25)17(24)7-13/h1-10,20,26,30H,11H2,(H,27,29)(H,28,31)/t20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex					Assay Description A coupled spectrophotometric assay was used in which ADP generated by ERK2 was converted to ATP by pyruvate kinase with the production of pyruvate fr...				J Med Chem 50: 1280-7 (2007) Article DOI: 10.1021/jm061381f BindingDB Entry DOI: 10.7270/Q2BR8QFV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM35650 (pyrimidylpyrrole, 10c) Show SMILES Cc1cnc(Nc2ccccc2)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C24H22ClN5O2/c1-15-12-27-24(28-19-8-3-2-4-9-19)30-22(15)17-11-20(26-13-17)23(32)29-21(14-31)16-6-5-7-18(25)10-16/h2-13,21,26,31H,14H2,1H3,(H,29,32)(H,27,28,30)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<2	<-50.5	n/a	n/a	n/a	n/a	n/a	7.5	30
Vertex					Assay Description A coupled spectrophotometric assay was used in which ADP generated by kinase was converted to ATP with the concomitant production of pyruvate from PE...				J Med Chem 52: 6362-8 (2009) Article DOI: 10.1021/jm900630q BindingDB Entry DOI: 10.7270/Q2D798SS
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM35663 (pyrimidylpyrrole, 11k) Show SMILES Cc1cnc(Nc2cccc3OC(F)(F)Oc23)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C25H20ClF2N5O4/c1-13-10-30-24(32-17-6-3-7-20-22(17)37-25(27,28)36-20)33-21(13)15-9-18(29-11-15)23(35)31-19(12-34)14-4-2-5-16(26)8-14/h2-11,19,29,34H,12H2,1H3,(H,31,35)(H,30,32,33)/t19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<2	<-50.5	n/a	n/a	n/a	n/a	n/a	7.5	30
Vertex					Assay Description A coupled spectrophotometric assay was used in which ADP generated by kinase was converted to ATP with the concomitant production of pyruvate from PE...				J Med Chem 52: 6362-8 (2009) Article DOI: 10.1021/jm900630q BindingDB Entry DOI: 10.7270/Q2D798SS
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM35641 (erk000040 | pyrimidylpyrrole, 2) Show SMILES Cc1cnc(Nc2ccccc2)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1 |r| Show InChI InChI=1S/C24H23N5O2/c1-16-13-26-24(27-19-10-6-3-7-11-19)29-22(16)18-12-20(25-14-18)23(31)28-21(15-30)17-8-4-2-5-9-17/h2-14,21,25,30H,15H2,1H3,(H,28,31)(H,26,27,29)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	<2	<-50.5	n/a	n/a	n/a	n/a	n/a	7.5	30
Vertex					Assay Description A coupled spectrophotometric assay was used in which ADP generated by kinase was converted to ATP with the concomitant production of pyruvate from PE...				J Med Chem 52: 6362-8 (2009) Article DOI: 10.1021/jm900630q BindingDB Entry DOI: 10.7270/Q2D798SS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM35642 (pyrimidylpyrrole, 9a) Show SMILES Cc1cnc(Nc2ccccc2Cl)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1 |r| Show InChI InChI=1S/C24H22ClN5O2/c1-15-12-27-24(29-19-10-6-5-9-18(19)25)30-22(15)17-11-20(26-13-17)23(32)28-21(14-31)16-7-3-2-4-8-16/h2-13,21,26,31H,14H2,1H3,(H,28,32)(H,27,29,30)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	<2	<-50.5	n/a	n/a	n/a	n/a	n/a	7.5	30
Vertex					Assay Description A coupled spectrophotometric assay was used in which ADP generated by kinase was converted to ATP with the concomitant production of pyruvate from PE...				J Med Chem 52: 6362-8 (2009) Article DOI: 10.1021/jm900630q BindingDB Entry DOI: 10.7270/Q2D798SS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM35643 (pyrimidylpyrrole, 9b) Show SMILES Cc1ccccc1Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1 |r| Show InChI InChI=1S/C25H25N5O2/c1-16-8-6-7-11-20(16)29-25-27-13-17(2)23(30-25)19-12-21(26-14-19)24(32)28-22(15-31)18-9-4-3-5-10-18/h3-14,22,26,31H,15H2,1-2H3,(H,28,32)(H,27,29,30)/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<2	<-50.5	n/a	n/a	n/a	n/a	n/a	7.5	30
Vertex					Assay Description A coupled spectrophotometric assay was used in which ADP generated by kinase was converted to ATP with the concomitant production of pyruvate from PE...				J Med Chem 52: 6362-8 (2009) Article DOI: 10.1021/jm900630q BindingDB Entry DOI: 10.7270/Q2D798SS
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM35649 (erk000537 | pyrimidylpyrrole, 10b) Show SMILES Cc1cnc(Nc2ccccc2)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(F)c1 |r| Show InChI InChI=1S/C24H22FN5O2/c1-15-12-27-24(28-19-8-3-2-4-9-19)30-22(15)17-11-20(26-13-17)23(32)29-21(14-31)16-6-5-7-18(25)10-16/h2-13,21,26,31H,14H2,1H3,(H,29,32)(H,27,28,30)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<2	<-50.5	n/a	n/a	n/a	n/a	n/a	7.5	30
Vertex					Assay Description A coupled spectrophotometric assay was used in which ADP generated by kinase was converted to ATP with the concomitant production of pyruvate from PE...				J Med Chem 52: 6362-8 (2009) Article DOI: 10.1021/jm900630q BindingDB Entry DOI: 10.7270/Q2D798SS
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM35651 (pyrimidylpyrrole, 10d) Show SMILES Cc1cccc(c1)[C@@H](CO)NC(=O)c1cc(c[nH]1)-c1nc(Nc2ccccc2)ncc1C |r| Show InChI InChI=1S/C25H25N5O2/c1-16-7-6-8-18(11-16)22(15-31)29-24(32)21-12-19(14-26-21)23-17(2)13-27-25(30-23)28-20-9-4-3-5-10-20/h3-14,22,26,31H,15H2,1-2H3,(H,29,32)(H,27,28,30)/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<2	<-50.5	n/a	n/a	n/a	n/a	n/a	7.5	30
Vertex					Assay Description A coupled spectrophotometric assay was used in which ADP generated by kinase was converted to ATP with the concomitant production of pyruvate from PE...				J Med Chem 52: 6362-8 (2009) Article DOI: 10.1021/jm900630q BindingDB Entry DOI: 10.7270/Q2D798SS
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM35645 (pyrimidylpyrrole, 9d) Show SMILES Cc1cnc(Nc2ccccc2F)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1 |r| Show InChI InChI=1S/C24H22FN5O2/c1-15-12-27-24(29-19-10-6-5-9-18(19)25)30-22(15)17-11-20(26-13-17)23(32)28-21(14-31)16-7-3-2-4-8-16/h2-13,21,26,31H,14H2,1H3,(H,28,32)(H,27,29,30)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<2	<-50.5	n/a	n/a	n/a	n/a	n/a	7.5	30
Vertex					Assay Description A coupled spectrophotometric assay was used in which ADP generated by kinase was converted to ATP with the concomitant production of pyruvate from PE...				J Med Chem 52: 6362-8 (2009) Article DOI: 10.1021/jm900630q BindingDB Entry DOI: 10.7270/Q2D798SS
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM35662 (pyrimidylpyrrole, 11j) Show SMILES Cc1cnc(Nc2cccc3OCOc23)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C25H22ClN5O4/c1-14-10-28-25(30-18-6-3-7-21-23(18)35-13-34-21)31-22(14)16-9-19(27-11-16)24(33)29-20(12-32)15-4-2-5-17(26)8-15/h2-11,20,27,32H,12-13H2,1H3,(H,29,33)(H,28,30,31)/t20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<2	<-50.5	n/a	n/a	n/a	n/a	n/a	7.5	30
Vertex					Assay Description A coupled spectrophotometric assay was used in which ADP generated by kinase was converted to ATP with the concomitant production of pyruvate from PE...				J Med Chem 52: 6362-8 (2009) Article DOI: 10.1021/jm900630q BindingDB Entry DOI: 10.7270/Q2D798SS
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM35654 (erk000526 | pyrimidylpyrrole, 11b) Show SMILES Cc1cccc(Nc2ncc(C)c(n2)-c2c[nH]c(c2)C(=O)N[C@H](CO)c2cccc(Cl)c2)c1C |r| Show InChI InChI=1S/C26H26ClN5O2/c1-15-6-4-9-21(17(15)3)31-26-29-12-16(2)24(32-26)19-11-22(28-13-19)25(34)30-23(14-33)18-7-5-8-20(27)10-18/h4-13,23,28,33H,14H2,1-3H3,(H,30,34)(H,29,31,32)/t23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<2	<-50.5	n/a	n/a	n/a	n/a	n/a	7.5	30
Vertex					Assay Description A coupled spectrophotometric assay was used in which ADP generated by kinase was converted to ATP with the concomitant production of pyruvate from PE...				J Med Chem 52: 6362-8 (2009) Article DOI: 10.1021/jm900630q BindingDB Entry DOI: 10.7270/Q2D798SS
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM35653 (pyrimidylpyrrole, 11a) Show SMILES Cc1ccccc1Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C25H24ClN5O2/c1-15-6-3-4-9-20(15)30-25-28-12-16(2)23(31-25)18-11-21(27-13-18)24(33)29-22(14-32)17-7-5-8-19(26)10-17/h3-13,22,27,32H,14H2,1-2H3,(H,29,33)(H,28,30,31)/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex					Assay Description A coupled spectrophotometric assay was used in which ADP generated by kinase was converted to ATP with the concomitant production of pyruvate from PE...				J Med Chem 52: 6362-8 (2009) Article DOI: 10.1021/jm900630q BindingDB Entry DOI: 10.7270/Q2D798SS
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM35657 (pyrimidylpyrrole, 11e) Show SMILES Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C24H20Cl2FN5O2/c1-13-10-29-24(31-19-6-5-17(27)9-18(19)26)32-22(13)15-8-20(28-11-15)23(34)30-21(12-33)14-3-2-4-16(25)7-14/h2-11,21,28,33H,12H2,1H3,(H,30,34)(H,29,31,32)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	<2	<-50.5	n/a	n/a	n/a	n/a	n/a	7.5	30
Vertex					Assay Description A coupled spectrophotometric assay was used in which ADP generated by kinase was converted to ATP with the concomitant production of pyruvate from PE...				J Med Chem 52: 6362-8 (2009) Article DOI: 10.1021/jm900630q BindingDB Entry DOI: 10.7270/Q2D798SS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM35647 (erk000636 | pyrimidylpyrrole, 9f) Show SMILES Cc1cnc(Nc2ccccc2O)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1 |r| Show InChI InChI=1S/C24H23N5O3/c1-15-12-26-24(28-18-9-5-6-10-21(18)31)29-22(15)17-11-19(25-13-17)23(32)27-20(14-30)16-7-3-2-4-8-16/h2-13,20,25,30-31H,14H2,1H3,(H,27,32)(H,26,28,29)/t20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex					Assay Description A coupled spectrophotometric assay was used in which ADP generated by kinase was converted to ATP with the concomitant production of pyruvate from PE...				J Med Chem 52: 6362-8 (2009) Article DOI: 10.1021/jm900630q BindingDB Entry DOI: 10.7270/Q2D798SS
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM35659 (pyrimidylpyrrole, 11g) Show SMILES CCc1ccccc1Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C26H26ClN5O2/c1-3-17-7-4-5-10-21(17)31-26-29-13-16(2)24(32-26)19-12-22(28-14-19)25(34)30-23(15-33)18-8-6-9-20(27)11-18/h4-14,23,28,33H,3,15H2,1-2H3,(H,30,34)(H,29,31,32)/t23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<2	<-50.5	n/a	n/a	n/a	n/a	n/a	7.5	30
Vertex					Assay Description A coupled spectrophotometric assay was used in which ADP generated by kinase was converted to ATP with the concomitant production of pyruvate from PE...				J Med Chem 52: 6362-8 (2009) Article DOI: 10.1021/jm900630q BindingDB Entry DOI: 10.7270/Q2D798SS
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM35660 (pyrimidylpyrrole, 11h) Show SMILES Cc1cnc(Nc2cccc3CCCc23)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C27H26ClN5O2/c1-16-13-30-27(32-22-10-4-6-17-5-3-9-21(17)22)33-25(16)19-12-23(29-14-19)26(35)31-24(15-34)18-7-2-8-20(28)11-18/h2,4,6-8,10-14,24,29,34H,3,5,9,15H2,1H3,(H,31,35)(H,30,32,33)/t24-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<2	<-50.5	n/a	n/a	n/a	n/a	n/a	7.5	30
Vertex					Assay Description A coupled spectrophotometric assay was used in which ADP generated by kinase was converted to ATP with the concomitant production of pyruvate from PE...				J Med Chem 52: 6362-8 (2009) Article DOI: 10.1021/jm900630q BindingDB Entry DOI: 10.7270/Q2D798SS
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM35644 (erk000524 | pyrimidylpyrrole, 9c) Show SMILES CCc1ccccc1Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1 |r| Show InChI InChI=1S/C26H27N5O2/c1-3-18-9-7-8-12-21(18)30-26-28-14-17(2)24(31-26)20-13-22(27-15-20)25(33)29-23(16-32)19-10-5-4-6-11-19/h4-15,23,27,32H,3,16H2,1-2H3,(H,29,33)(H,28,30,31)/t23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3	-49.5	n/a	n/a	n/a	n/a	n/a	7.5	30
Vertex					Assay Description A coupled spectrophotometric assay was used in which ADP generated by kinase was converted to ATP with the concomitant production of pyruvate from PE...				J Med Chem 52: 6362-8 (2009) Article DOI: 10.1021/jm900630q BindingDB Entry DOI: 10.7270/Q2D798SS
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM35665 (erk000617 | pyrimidylpyrrole, 11m) Show SMILES COc1cccc(Nc2ncc(C)c(n2)-c2c[nH]c(c2)C(=O)N[C@H](CO)c2cccc(Cl)c2)c1OC |r| Show InChI InChI=1S/C26H26ClN5O4/c1-15-12-29-26(31-19-8-5-9-22(35-2)24(19)36-3)32-23(15)17-11-20(28-13-17)25(34)30-21(14-33)16-6-4-7-18(27)10-16/h4-13,21,28,33H,14H2,1-3H3,(H,30,34)(H,29,31,32)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3	-49.5	n/a	n/a	n/a	n/a	n/a	7.5	30
Vertex					Assay Description A coupled spectrophotometric assay was used in which ADP generated by kinase was converted to ATP with the concomitant production of pyruvate from PE...				J Med Chem 52: 6362-8 (2009) Article DOI: 10.1021/jm900630q BindingDB Entry DOI: 10.7270/Q2D798SS
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM35646 (erk000506 | pyrimidylpyrrole, 9e) Show SMILES Cc1cnc(Nc2ccccc2C(F)(F)F)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1 |r| Show InChI InChI=1S/C25H22F3N5O2/c1-15-12-30-24(32-19-10-6-5-9-18(19)25(26,27)28)33-22(15)17-11-20(29-13-17)23(35)31-21(14-34)16-7-3-2-4-8-16/h2-13,21,29,34H,14H2,1H3,(H,31,35)(H,30,32,33)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4	-48.7	n/a	n/a	n/a	n/a	n/a	7.5	30
Vertex					Assay Description A coupled spectrophotometric assay was used in which ADP generated by kinase was converted to ATP with the concomitant production of pyruvate from PE...				J Med Chem 52: 6362-8 (2009) Article DOI: 10.1021/jm900630q BindingDB Entry DOI: 10.7270/Q2D798SS
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM35647 (erk000636 | pyrimidylpyrrole, 9f) Show SMILES Cc1cnc(Nc2ccccc2O)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1 |r| Show InChI InChI=1S/C24H23N5O3/c1-15-12-26-24(28-18-9-5-6-10-21(18)31)29-22(15)17-11-19(25-13-17)23(32)27-20(14-30)16-7-3-2-4-8-16/h2-13,20,25,30-31H,14H2,1H3,(H,27,32)(H,26,28,29)/t20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4	-48.7	n/a	n/a	n/a	n/a	n/a	7.5	30
Vertex					Assay Description A coupled spectrophotometric assay was used in which ADP generated by kinase was converted to ATP with the concomitant production of pyruvate from PE...				J Med Chem 52: 6362-8 (2009) Article DOI: 10.1021/jm900630q BindingDB Entry DOI: 10.7270/Q2D798SS
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM24616 (1-(6-(4-(Cyclopropylcarbamoyl)-1H-imidazol-1-yl)-4...) Show SMILES CCNC(=O)Nc1nc2c(cc(cc2[nH]1)-n1cnc(c1)C(=O)NC1CC1)-c1ccccn1 Show InChI InChI=1S/C22H22N8O2/c1-2-23-22(32)29-21-27-17-10-14(9-15(19(17)28-21)16-5-3-4-8-24-16)30-11-18(25-12-30)20(31)26-13-6-7-13/h3-5,8-13H,2,6-7H2,1H3,(H,26,31)(H3,23,27,28,29,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	<4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex					Assay Description Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ...				J Med Chem 51: 5243-63 (2008) Article DOI: 10.1021/jm800318d BindingDB Entry DOI: 10.7270/Q2J67F7T
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM24614 (3-ethyl-1-[7-(1H-pyrazol-1-yl)-5-(pyrimidin-5-yl)-...) Show SMILES CCNC(=O)Nc1nc2c(cc(cc2[nH]1)-c1cncnc1)-n1cccn1 Show InChI InChI=1S/C17H16N8O/c1-2-20-17(26)24-16-22-13-6-11(12-8-18-10-19-9-12)7-14(15(13)23-16)25-5-3-4-21-25/h3-10H,2H2,1H3,(H3,20,22,23,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	<4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex					Assay Description Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ...				J Med Chem 51: 5243-63 (2008) Article DOI: 10.1021/jm800318d BindingDB Entry DOI: 10.7270/Q2J67F7T
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM24615 (Benzimidazole urea analogue, 19 | N-cyclopropyl-1-...) Show SMILES CCNC(=O)Nc1nc2c(cc(cc2[nH]1)-n1cnc(c1)C(=O)NC1CC1)-n1cccn1 Show InChI InChI=1S/C20H21N9O2/c1-2-21-20(31)27-19-25-14-8-13(9-16(17(14)26-19)29-7-3-6-23-29)28-10-15(22-11-28)18(30)24-12-4-5-12/h3,6-12H,2,4-5H2,1H3,(H,24,30)(H3,21,25,26,27,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	<4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex					Assay Description Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ...				J Med Chem 51: 5243-63 (2008) Article DOI: 10.1021/jm800318d BindingDB Entry DOI: 10.7270/Q2J67F7T
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM24609 (3-ethyl-1-[7-(pyridin-2-yl)-5-(pyridin-3-yl)-1H-1,...) Show SMILES CCNC(=O)Nc1nc2c(cc(cc2[nH]1)-c1cccnc1)-c1ccccn1 Show InChI InChI=1S/C20H18N6O/c1-2-22-20(27)26-19-24-17-11-14(13-6-5-8-21-12-13)10-15(18(17)25-19)16-7-3-4-9-23-16/h3-12H,2H2,1H3,(H3,22,24,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	<4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex					Assay Description Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ...				J Med Chem 51: 5243-63 (2008) Article DOI: 10.1021/jm800318d BindingDB Entry DOI: 10.7270/Q2J67F7T
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM24608 (3-ethyl-1-[7-(1H-pyrazol-1-yl)-5-(pyridin-3-yl)-1H...) Show SMILES CCNC(=O)Nc1nc2c(cc(cc2[nH]1)-c1cccnc1)-n1cccn1 Show InChI InChI=1S/C18H17N7O/c1-2-20-18(26)24-17-22-14-9-13(12-5-3-6-19-11-12)10-15(16(14)23-17)25-8-4-7-21-25/h3-11H,2H2,1H3,(H3,20,22,23,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	<4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex					Assay Description Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ...				J Med Chem 51: 5243-63 (2008) Article DOI: 10.1021/jm800318d BindingDB Entry DOI: 10.7270/Q2J67F7T
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM24606 (Benzimidazole urea analogue, 10 | methyl 2-[(ethyl...) Show SMILES CCNC(=O)Nc1nc2c(cc(cc2[nH]1)-c1cccnc1)C(=O)OC Show InChI InChI=1S/C17H17N5O3/c1-3-19-17(24)22-16-20-13-8-11(10-5-4-6-18-9-10)7-12(14(13)21-16)15(23)25-2/h4-9H,3H2,1-2H3,(H3,19,20,21,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	<4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex					Assay Description Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ...				J Med Chem 51: 5243-63 (2008) Article DOI: 10.1021/jm800318d BindingDB Entry DOI: 10.7270/Q2J67F7T
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM24601 (Benzimidazole urea analogue, 5 | N-cyclopropyl-1-{...) Show SMILES CCNC(=O)Nc1nc2cc(c(F)cc2[nH]1)-n1cnc(c1)C(=O)NC1CC1 Show InChI InChI=1S/C17H18FN7O2/c1-2-19-17(27)24-16-22-11-5-10(18)14(6-12(11)23-16)25-7-13(20-8-25)15(26)21-9-3-4-9/h5-9H,2-4H2,1H3,(H,21,26)(H3,19,22,23,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	<4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex					Assay Description Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ...				J Med Chem 51: 5243-63 (2008) Article DOI: 10.1021/jm800318d BindingDB Entry DOI: 10.7270/Q2J67F7T
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50497604 (CHEMBL3264033) Show SMILES CCNC(=O)Nc1nc2cc(cc(-c3ncccc3F)c2[nH]1)-c1cnc(nc1)C(C)(C)O Show InChI InChI=1S/C22H22FN7O2/c1-4-24-21(31)30-20-28-16-9-12(13-10-26-19(27-11-13)22(2,3)32)8-14(18(16)29-20)17-15(23)6-5-7-25-17/h5-11,32H,4H2,1-3H3,(H3,24,28,29,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of aureus Escherichia coli DNA gyrase A2B2 using pBR322 plasmid DNA as substrate by coupled enzyme reaction assay				J Med Chem 57: 8792-816 (2014) Article DOI: 10.1021/jm500563g BindingDB Entry DOI: 10.7270/Q2TF01BF
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM24611 (3-ethyl-1-[7-(3-fluoropyridin-2-yl)-5-(pyridin-3-y...) Show SMILES CCNC(=O)Nc1nc2c(cc(cc2[nH]1)-c1cccnc1)-c1ncccc1F Show InChI InChI=1S/C20H17FN6O/c1-2-23-20(28)27-19-25-16-10-13(12-5-3-7-22-11-12)9-14(18(16)26-19)17-15(21)6-4-8-24-17/h3-11H,2H2,1H3,(H3,23,25,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	<4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex					Assay Description Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ...				J Med Chem 51: 5243-63 (2008) Article DOI: 10.1021/jm800318d BindingDB Entry DOI: 10.7270/Q2J67F7T
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 (Homo sapiens (Human))	BDBM50310456 (4-(1-cyclobutyl-1H-benzo[d]imidazol-2-yl)-1,2,5-ox...) Show SMILES Nc1nonc1-c1nc2ccccc2n1C1CCC1 Show InChI InChI=1S/C13H13N5O/c14-12-11(16-19-17-12)13-15-9-6-1-2-7-10(9)18(13)8-4-3-5-8/h1-2,6-8H,3-5H2,(H2,14,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of p70S6K assessed as decrease in NADH absorbance at 340 nm in the presence of				Bioorg Med Chem Lett 19: 5191-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.022 BindingDB Entry DOI: 10.7270/Q2KP8287
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM24617 (3-ethyl-1-[7-(3-fluoropyridin-2-yl)-5-(1-methyl-2-...) Show SMILES CCNC(=O)Nc1nc2c(cc(cc2[nH]1)-c1ccn(C)c(=O)c1)-c1ncccc1F Show InChI InChI=1S/C21H19FN6O2/c1-3-23-21(30)27-20-25-16-10-13(12-6-8-28(2)17(29)11-12)9-14(19(16)26-20)18-15(22)5-4-7-24-18/h4-11H,3H2,1-2H3,(H3,23,25,26,27,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	<4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex					Assay Description Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ...				J Med Chem 51: 5243-63 (2008) Article DOI: 10.1021/jm800318d BindingDB Entry DOI: 10.7270/Q2J67F7T
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM24607 (2-[(ethylcarbamoyl)amino]-N-methyl-5-(pyridin-3-yl...) Show SMILES CCNC(=O)Nc1nc2cc(cc(C(=O)NC)c2[nH]1)-c1cccnc1 Show InChI InChI=1S/C17H18N6O2/c1-3-20-17(25)23-16-21-13-8-11(10-5-4-6-19-9-10)7-12(14(13)22-16)15(24)18-2/h4-9H,3H2,1-2H3,(H,18,24)(H3,20,21,22,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex					Assay Description Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ...				J Med Chem 51: 5243-63 (2008) Article DOI: 10.1021/jm800318d BindingDB Entry DOI: 10.7270/Q2J67F7T
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50497603 (CHEMBL3356986) Show SMILES CCNC(=O)Nc1nc2cc(cc(-c3ncccn3)c2[nH]1)-c1cncc(F)c1 Show InChI InChI=1S/C19H16FN7O/c1-2-22-19(28)27-18-25-15-8-11(12-6-13(20)10-21-9-12)7-14(16(15)26-18)17-23-4-3-5-24-17/h3-10H,2H2,1H3,(H3,22,25,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of aureus Escherichia coli DNA gyrase A2B2 using pBR322 plasmid DNA as substrate by coupled enzyme reaction assay				J Med Chem 57: 8792-816 (2014) Article DOI: 10.1021/jm500563g BindingDB Entry DOI: 10.7270/Q2TF01BF
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM35656 (erk000650 | pyrimidylpyrrole, 11d) Show SMILES Cc1cc(Cl)ccc1Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C25H23Cl2N5O2/c1-14-8-19(27)6-7-20(14)31-25-29-11-15(2)23(32-25)17-10-21(28-12-17)24(34)30-22(13-33)16-4-3-5-18(26)9-16/h3-12,22,28,33H,13H2,1-2H3,(H,30,34)(H,29,31,32)/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5	-48.2	n/a	n/a	n/a	n/a	n/a	7.5	30
Vertex					Assay Description A coupled spectrophotometric assay was used in which ADP generated by kinase was converted to ATP with the concomitant production of pyruvate from PE...				J Med Chem 52: 6362-8 (2009) Article DOI: 10.1021/jm900630q BindingDB Entry DOI: 10.7270/Q2D798SS
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM35649 (erk000537 | pyrimidylpyrrole, 10b) Show SMILES Cc1cnc(Nc2ccccc2)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(F)c1 |r| Show InChI InChI=1S/C24H22FN5O2/c1-15-12-27-24(28-19-8-3-2-4-9-19)30-22(15)17-11-20(26-13-17)23(32)29-21(14-31)16-6-5-7-18(25)10-16/h2-13,21,26,31H,14H2,1H3,(H,29,32)(H,27,28,30)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex					Assay Description A coupled spectrophotometric assay was used in which ADP generated by kinase was converted to ATP with the concomitant production of pyruvate from PE...				J Med Chem 52: 6362-8 (2009) Article DOI: 10.1021/jm900630q BindingDB Entry DOI: 10.7270/Q2D798SS
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM35658 (erk000651 | pyrimidylpyrrole, 11f) Show SMILES Cc1cnc(Nc2ccc(Cl)cc2F)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C24H20Cl2FN5O2/c1-13-10-29-24(31-19-6-5-17(26)9-18(19)27)32-22(13)15-8-20(28-11-15)23(34)30-21(12-33)14-3-2-4-16(25)7-14/h2-11,21,28,33H,12H2,1H3,(H,30,34)(H,29,31,32)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5	-48.2	n/a	n/a	n/a	n/a	n/a	7.5	30
Vertex					Assay Description A coupled spectrophotometric assay was used in which ADP generated by kinase was converted to ATP with the concomitant production of pyruvate from PE...				J Med Chem 52: 6362-8 (2009) Article DOI: 10.1021/jm900630q BindingDB Entry DOI: 10.7270/Q2D798SS
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM24610 (1-[5,7-bis(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]-...) Show SMILES CCNC(=O)Nc1nc2c(cc(cc2[nH]1)-c1cccnc1)-c1cccnc1 Show InChI InChI=1S/C20H18N6O/c1-2-23-20(27)26-19-24-17-10-15(13-5-3-7-21-11-13)9-16(18(17)25-19)14-6-4-8-22-12-14/h3-12H,2H2,1H3,(H3,23,24,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex					Assay Description Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ...				J Med Chem 51: 5243-63 (2008) Article DOI: 10.1021/jm800318d BindingDB Entry DOI: 10.7270/Q2J67F7T
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50497602 (CHEMBL222333 | VRT-752586) Show SMILES CCNC(=O)Nc1nc2cc(cc(-c3ncccc3F)c2[nH]1)-c1cccnc1 Show InChI InChI=1S/C20H17FN6O/c1-2-23-20(28)27-19-25-16-10-13(12-5-3-7-22-11-12)9-14(18(16)26-19)17-15(21)6-4-8-24-17/h3-11H,2H2,1H3,(H3,23,25,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of aureus Escherichia coli DNA gyrase A2B2 using pBR322 plasmid DNA as substrate by coupled enzyme reaction assay				J Med Chem 57: 8792-816 (2014) Article DOI: 10.1021/jm500563g BindingDB Entry DOI: 10.7270/Q2TF01BF
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM15644 (N-(1-(3-Chloro-4-fluorophenyl)-2-hydroxyethyl)-4-(...) Show SMILES OCC(NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1ccc(F)c(Cl)c1 Show InChI InChI=1S/C22H17Cl2FN4O2/c23-15-3-1-2-12(6-15)16-10-27-29-21(16)14-8-19(26-9-14)22(31)28-20(11-30)13-4-5-18(25)17(24)7-13/h1-10,20,26,30H,11H2,(H,27,29)(H,28,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex					Assay Description A coupled spectrophotometric assay was used in which ADP generated by ERK2 was converted to ATP by pyruvate kinase with the production of pyruvate fr...				J Med Chem 50: 1280-7 (2007) Article DOI: 10.1021/jm061381f BindingDB Entry DOI: 10.7270/Q2BR8QFV
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM24609 (3-ethyl-1-[7-(pyridin-2-yl)-5-(pyridin-3-yl)-1H-1,...) Show SMILES CCNC(=O)Nc1nc2c(cc(cc2[nH]1)-c1cccnc1)-c1ccccn1 Show InChI InChI=1S/C20H18N6O/c1-2-22-20(27)26-19-24-17-11-14(13-6-5-8-21-12-13)10-15(18(17)25-19)16-7-3-4-9-23-16/h3-12H,2H2,1H3,(H3,22,24,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	7	-47.3	n/a	n/a	n/a	n/a	n/a	7.5	30
Vertex					Assay Description Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ...				J Med Chem 51: 5243-63 (2008) Article DOI: 10.1021/jm800318d BindingDB Entry DOI: 10.7270/Q2J67F7T
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM35641 (erk000040 | pyrimidylpyrrole, 2) Show SMILES Cc1cnc(Nc2ccccc2)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1 |r| Show InChI InChI=1S/C24H23N5O2/c1-16-13-26-24(27-19-10-6-3-7-11-19)29-22(16)18-12-20(25-14-18)23(31)28-21(15-30)17-8-4-2-5-9-17/h2-14,21,25,30H,15H2,1H3,(H,28,31)(H,26,27,29)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex					Assay Description A coupled spectrophotometric assay was used in which ADP generated by kinase was converted to ATP with the concomitant production of pyruvate from PE...				J Med Chem 52: 6362-8 (2009) Article DOI: 10.1021/jm900630q BindingDB Entry DOI: 10.7270/Q2D798SS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM15643 (4-(4-(3-Chlorophenyl)-1H-pyrazol-3-yl)-N-(1-(3,5-d...) Show SMILES OCC(NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C22H17Cl3N4O2/c23-15-3-1-2-12(4-15)18-10-27-29-21(18)14-7-19(26-9-14)22(31)28-20(11-30)13-5-16(24)8-17(25)6-13/h1-10,20,26,30H,11H2,(H,27,29)(H,28,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex					Assay Description A coupled spectrophotometric assay was used in which ADP generated by ERK2 was converted to ATP by pyruvate kinase with the production of pyruvate fr...				J Med Chem 50: 1280-7 (2007) Article DOI: 10.1021/jm061381f BindingDB Entry DOI: 10.7270/Q2BR8QFV
					More data for this Ligand-Target Pair
DNA topoisomerase 4 subunit A/B (Escherichia coli (strain K12))	BDBM24616 (1-(6-(4-(Cyclopropylcarbamoyl)-1H-imidazol-1-yl)-4...) Show SMILES CCNC(=O)Nc1nc2c(cc(cc2[nH]1)-n1cnc(c1)C(=O)NC1CC1)-c1ccccn1 Show InChI InChI=1S/C22H22N8O2/c1-2-23-22(32)29-21-27-17-10-14(9-15(19(17)28-21)16-5-3-4-8-24-16)30-11-18(25-12-30)20(31)26-13-6-7-13/h3-5,8-13H,2,6-7H2,1H3,(H,26,31)(H3,23,27,28,29,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex					Assay Description Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ...				J Med Chem 51: 5243-63 (2008) Article DOI: 10.1021/jm800318d BindingDB Entry DOI: 10.7270/Q2J67F7T
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50557859 (CHEMBL4784332) Show SMILES Clc1cccc(Nc2nn3c(Cc4ccc5ncccc5c4)nnc3s2)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of c-Met (unknown origin) using poly Glu-Tyr as substrate preincubated for 10 mins followed by ATP addition by phosphoenolpyruvate/pyruvat...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00094 BindingDB Entry DOI: 10.7270/Q28919JG
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM24606 (Benzimidazole urea analogue, 10 | methyl 2-[(ethyl...) Show SMILES CCNC(=O)Nc1nc2c(cc(cc2[nH]1)-c1cccnc1)C(=O)OC Show InChI InChI=1S/C17H17N5O3/c1-3-19-17(24)22-16-20-13-8-11(10-5-4-6-18-9-10)7-12(14(13)21-16)15(23)25-2/h4-9H,3H2,1-2H3,(H3,19,20,21,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	8	-47.0	n/a	n/a	n/a	n/a	n/a	7.5	30
Vertex					Assay Description Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ...				J Med Chem 51: 5243-63 (2008) Article DOI: 10.1021/jm800318d BindingDB Entry DOI: 10.7270/Q2J67F7T
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50557853 (CHEMBL4753090) Show SMILES Oc1ccc(Cc2nnc3sc(Nc4cccc(Cl)c4)nn23)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of c-Met (unknown origin) using poly Glu-Tyr as substrate preincubated for 10 mins followed by ATP addition by phosphoenolpyruvate/pyruvat...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00094 BindingDB Entry DOI: 10.7270/Q28919JG
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50393079 (CHEMBL2152855 | US9040542, 23) Show SMILES CCNC(=O)Nc1nc2cc(c(F)c([C@H]3CCCO3)c2[nH]1)-c1cnc(nc1)C(C)(C)O |r| Show InChI InChI=1S/C21H25FN6O3/c1-4-23-20(29)28-19-26-13-8-12(11-9-24-18(25-10-11)21(2,3)30)16(22)15(17(13)27-19)14-6-5-7-31-14/h8-10,14,30H,4-7H2,1-3H3,(H3,23,26,27,28,29)/t14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus DNA gyrase using pBR322 plasmid DNA as substrate by coupled enzyme reaction assay				J Med Chem 57: 8792-816 (2014) Article DOI: 10.1021/jm500563g BindingDB Entry DOI: 10.7270/Q2TF01BF
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM24601 (Benzimidazole urea analogue, 5 | N-cyclopropyl-1-{...) Show SMILES CCNC(=O)Nc1nc2cc(c(F)cc2[nH]1)-n1cnc(c1)C(=O)NC1CC1 Show InChI InChI=1S/C17H18FN7O2/c1-2-19-17(27)24-16-22-11-5-10(18)14(6-12(11)23-16)25-7-13(20-8-25)15(26)21-9-3-4-9/h5-9H,2-4H2,1H3,(H,21,26)(H3,19,22,23,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	10	-46.4	n/a	n/a	n/a	n/a	n/a	7.5	30
Vertex					Assay Description Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ...				J Med Chem 51: 5243-63 (2008) Article DOI: 10.1021/jm800318d BindingDB Entry DOI: 10.7270/Q2J67F7T
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM24615 (Benzimidazole urea analogue, 19 | N-cyclopropyl-1-...) Show SMILES CCNC(=O)Nc1nc2c(cc(cc2[nH]1)-n1cnc(c1)C(=O)NC1CC1)-n1cccn1 Show InChI InChI=1S/C20H21N9O2/c1-2-21-20(31)27-19-25-14-8-13(9-16(17(14)26-19)29-7-3-6-23-29)28-10-15(22-11-28)18(30)24-12-4-5-12/h3,6-12H,2,4-5H2,1H3,(H,24,30)(H3,21,25,26,27,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	10	-46.4	n/a	n/a	n/a	n/a	n/a	7.5	30
Vertex					Assay Description Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ...				J Med Chem 51: 5243-63 (2008) Article DOI: 10.1021/jm800318d BindingDB Entry DOI: 10.7270/Q2J67F7T
					More data for this Ligand-Target Pair

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