Compile Data Set for Download or QSAR

Found 62 hits Enz. Inhib. hit(s) with all data for entry = 1969   

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))	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))	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)
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
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM15638 (4-(4-(3-Chlorophenyl)-1H-pyrazol-3-yl)-N-(1-(4-chl...) Show SMILES OCC(NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H18Cl2N4O2/c23-16-6-4-13(5-7-16)20(12-29)27-22(30)19-9-15(10-25-19)21-18(11-26-28-21)14-2-1-3-17(24)8-14/h1-11,20,25,29H,12H2,(H,26,28)(H,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	14	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
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM15642 (4-(4-(3-Chlorophenyl)-1H-pyrazol-3-yl)-N-(1-(3,4-d...) Show SMILES OCC(NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1ccc(F)c(F)c1 Show InChI InChI=1S/C22H17ClF2N4O2/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)13-4-5-17(24)18(25)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	PC cid PC sid UniChem Similars	Article PubMed	22	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
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM15641 (4-(4-(3-Chlorophenyl)-1H-pyrazol-3-yl)-N-(1-(3-flu...) Show SMILES OCC(NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1cccc(F)c1 Show InChI InChI=1S/C22H18ClFN4O2/c23-16-5-1-3-13(7-16)18-11-26-28-21(18)15-9-19(25-10-15)22(30)27-20(12-29)14-4-2-6-17(24)8-14/h1-11,20,25,29H,12H2,(H,26,28)(H,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	24	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
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM15632 (4-(4-(3-Chlorophenyl)-1H-pyrazol-3-yl)-N-((S)-2-hy...) Show SMILES OC[C@@H](NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1ccccc1 |r| Show InChI InChI=1S/C22H19ClN4O2/c23-17-8-4-7-15(9-17)18-12-25-27-21(18)16-10-19(24-11-16)22(29)26-20(13-28)14-5-2-1-3-6-14/h1-12,20,24,28H,13H2,(H,25,27)(H,26,29)/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	35	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
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM15625 (4-[4-(3-chlorophenyl)-1H-pyrazol-3-yl]-N-[(3,4-dif...) Show SMILES Fc1ccc(CNC(=O)c2cc(c[nH]2)-c2n[nH]cc2-c2cccc(Cl)c2)cc1F Show InChI InChI=1S/C21H15ClF2N4O/c22-15-3-1-2-13(7-15)16-11-27-28-20(16)14-8-19(25-10-14)21(29)26-9-12-4-5-17(23)18(24)6-12/h1-8,10-11,25H,9H2,(H,26,29)(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	40	-42.9	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 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
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM15639 (4-(4-(3-Chlorophenyl)-1H-pyrazol-3-yl)-N-(1-(4-(tr...) Show SMILES OCC(NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C23H18ClF3N4O2/c24-17-3-1-2-14(8-17)18-11-29-31-21(18)15-9-19(28-10-15)22(33)30-20(12-32)13-4-6-16(7-5-13)23(25,26)27/h1-11,20,28,32H,12H2,(H,29,31)(H,30,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	44	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
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM15637 (4-(4-(3-Chlorophenyl)-1H-pyrazol-3-yl)-N-(1-(4-flu...) Show SMILES OCC(NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1ccc(F)cc1 Show InChI InChI=1S/C22H18ClFN4O2/c23-16-3-1-2-14(8-16)18-11-26-28-21(18)15-9-19(25-10-15)22(30)27-20(12-29)13-4-6-17(24)7-5-13/h1-11,20,25,29H,12H2,(H,26,28)(H,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	63	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
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM15621 (N-Benzyl-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H...) Show SMILES Clc1cccc(c1)-c1c[nH]nc1-c1c[nH]c(c1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C21H17ClN4O/c22-17-8-4-7-15(9-17)18-13-25-26-20(18)16-10-19(23-12-16)21(27)24-11-14-5-2-1-3-6-14/h1-10,12-13,23H,11H2,(H,24,27)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	86	-41.0	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 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))	BDBM15630 (4-(4-(3-Chlorophenyl)-1H-pyrazol-3-yl)-N-((R)-1-ph...) Show SMILES C[C@@H](NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1ccccc1 |r| Show InChI InChI=1S/C22H19ClN4O/c1-14(15-6-3-2-4-7-15)26-22(28)20-11-17(12-24-20)21-19(13-25-27-21)16-8-5-9-18(23)10-16/h2-14,24H,1H3,(H,25,27)(H,26,28)/t14-/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	100	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
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM15646 (N-((R)-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-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	150	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
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM15623 (4-(4-(3-Chlorophenyl)-1H-pyrazol-3-yl)-N-((pyridin...) Show SMILES Clc1cccc(c1)-c1c[nH]nc1-c1c[nH]c(c1)C(=O)NCc1ccncc1 Show InChI InChI=1S/C20H16ClN5O/c21-16-3-1-2-14(8-16)17-12-25-26-19(17)15-9-18(23-11-15)20(27)24-10-13-4-6-22-7-5-13/h1-9,11-12,23H,10H2,(H,24,27)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	160	-39.4	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 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
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM15629 (N-(Benzyloxy)-4-(4-(3-chlorophenyl)-1H-pyrazol-3-y...) Show SMILES Clc1cccc(c1)-c1c[nH]nc1-c1c[nH]c(c1)C(=O)NOCc1ccccc1 Show InChI InChI=1S/C21H17ClN4O2/c22-17-8-4-7-15(9-17)18-12-24-25-20(18)16-10-19(23-11-16)21(27)26-28-13-14-5-2-1-3-6-14/h1-12,23H,13H2,(H,24,25)(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	170	-39.3	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 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
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM15616 (4-(3-chlorophenyl)-3-[5-(pyrrolidin-1-ylcarbonyl)-...) Show SMILES Clc1cccc(c1)-c1c[nH]nc1-c1c[nH]c(c1)C(=O)N1CCCC1 Show InChI InChI=1S/C18H17ClN4O/c19-14-5-3-4-12(8-14)15-11-21-22-17(15)13-9-16(20-10-13)18(24)23-6-1-2-7-23/h3-5,8-11,20H,1-2,6-7H2,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	200	-38.9	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 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
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM15622 (4-(4-(3-Chlorophenyl)-1H-pyrazol-3-yl)-N-((pyridin...) Show SMILES Clc1cccc(c1)-c1c[nH]nc1-c1c[nH]c(c1)C(=O)NCc1cccnc1 Show InChI InChI=1S/C20H16ClN5O/c21-16-5-1-4-14(7-16)17-12-25-26-19(17)15-8-18(23-11-15)20(27)24-10-13-3-2-6-22-9-13/h1-9,11-12,23H,10H2,(H,24,27)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	230	-38.5	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 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
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM15640 (4-(4-(3-Chlorophenyl)-1H-pyrazol-3-yl)-N-(1-(2-flu...) Show SMILES OCC(NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1ccccc1F Show InChI InChI=1S/C22H18ClFN4O2/c23-15-5-3-4-13(8-15)17-11-26-28-21(17)14-9-19(25-10-14)22(30)27-20(12-29)16-6-1-2-7-18(16)24/h1-11,20,25,29H,12H2,(H,26,28)(H,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	240	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
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM15628 (4-(4-(3-Chlorophenyl)-1H-pyrazol-3-yl)-N-(2-(pyrid...) Show SMILES Clc1cccc(c1)-c1c[nH]nc1-c1c[nH]c(c1)C(=O)NCCc1cccnc1 Show InChI InChI=1S/C21H18ClN5O/c22-17-5-1-4-15(9-17)18-13-26-27-20(18)16-10-19(25-12-16)21(28)24-8-6-14-3-2-7-23-11-14/h1-5,7,9-13,25H,6,8H2,(H,24,28)(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	330	-37.6	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 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
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM15618 (4-(4-(3-Chlorophenyl)-1H-pyrazol-3-yl)-N-((tetrahy...) Show SMILES Clc1cccc(c1)-c1c[nH]nc1-c1c[nH]c(c1)C(=O)NCC1CCCO1 Show InChI InChI=1S/C19H19ClN4O2/c20-14-4-1-3-12(7-14)16-11-23-24-18(16)13-8-17(21-9-13)19(25)22-10-15-5-2-6-26-15/h1,3-4,7-9,11,15,21H,2,5-6,10H2,(H,22,25)(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	430	-36.9	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 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
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM15624 (N-Benzyl-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-N-...) Show SMILES CN(Cc1ccccc1)C(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1 Show InChI InChI=1S/C22H19ClN4O/c1-27(14-15-6-3-2-4-7-15)22(28)20-11-17(12-24-20)21-19(13-25-26-21)16-8-5-9-18(23)10-16/h2-13,24H,14H2,1H3,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	440	-36.9	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 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
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM15626 (4-[4-(3-chlorophenyl)-1H-pyrazol-3-yl]-N-[(4-metho...) Show SMILES COc1ccc(CNC(=O)c2cc(c[nH]2)-c2n[nH]cc2-c2cccc(Cl)c2)cc1 Show InChI InChI=1S/C22H19ClN4O2/c1-29-18-7-5-14(6-8-18)11-25-22(28)20-10-16(12-24-20)21-19(13-26-27-21)15-3-2-4-17(23)9-15/h2-10,12-13,24H,11H2,1H3,(H,25,28)(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	490	-36.6	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 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
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM15634 ((2S)-2-({4-[4-(3-chlorophenyl)-1H-pyrazol-3-yl]-1H...) Show SMILES NC(=O)[C@@H](NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1ccccc1 |r| Show InChI InChI=1S/C22H18ClN5O2/c23-16-8-4-7-14(9-16)17-12-26-28-19(17)15-10-18(25-11-15)22(30)27-20(21(24)29)13-5-2-1-3-6-13/h1-12,20,25H,(H2,24,29)(H,26,28)(H,27,30)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	510	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
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM15627 (2-({4-[4-(3-chlorophenyl)-1H-pyrazol-3-yl]-1H-pyrr...) Show SMILES Clc1cccc(c1)-c1c[nH]nc1-c1c[nH]c(c1)C(=O)N1CCc2ccccc2C1 Show InChI InChI=1S/C23H19ClN4O/c24-19-7-3-6-16(10-19)20-13-26-27-22(20)18-11-21(25-12-18)23(29)28-9-8-15-4-1-2-5-17(15)14-28/h1-7,10-13,25H,8-9,14H2,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	510	-36.5	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 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
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM15621 (N-Benzyl-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H...) Show SMILES Clc1cccc(c1)-c1c[nH]nc1-c1c[nH]c(c1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C21H17ClN4O/c22-17-8-4-7-15(9-17)18-13-25-26-20(18)16-10-19(23-12-16)21(27)24-11-14-5-2-1-3-6-14/h1-10,12-13,23H,11H2,(H,24,27)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	550	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 JNK3 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))	BDBM15615 (4-(4-(3-Chlorophenyl)-1H-pyrazol-3-yl)-N-ethyl-N-m...) Show SMILES CCN(C)C(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1 Show InChI InChI=1S/C17H17ClN4O/c1-3-22(2)17(23)15-8-12(9-19-15)16-14(10-20-21-16)11-5-4-6-13(18)7-11/h4-10,19H,3H2,1-2H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	580	-36.2	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 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
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM15631 (4-(4-(3-Chlorophenyl)-1H-pyrazol-3-yl)-N-((S)-1-ph...) Show SMILES C[C@H](NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1ccccc1 |r| Show InChI InChI=1S/C22H19ClN4O/c1-14(15-6-3-2-4-7-15)26-22(28)20-11-17(12-24-20)21-19(13-25-27-21)16-8-5-9-18(23)10-16/h2-14,24H,1H3,(H,25,27)(H,26,28)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	660	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
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM15625 (4-[4-(3-chlorophenyl)-1H-pyrazol-3-yl]-N-[(3,4-dif...) Show SMILES Fc1ccc(CNC(=O)c2cc(c[nH]2)-c2n[nH]cc2-c2cccc(Cl)c2)cc1F Show InChI InChI=1S/C21H15ClF2N4O/c22-15-3-1-2-13(7-15)16-11-27-28-20(16)14-8-19(25-10-14)21(29)26-9-12-4-5-17(23)18(24)6-12/h1-8,10-11,25H,9H2,(H,26,29)(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	790	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 JNK3 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
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM15626 (4-[4-(3-chlorophenyl)-1H-pyrazol-3-yl]-N-[(4-metho...) Show SMILES COc1ccc(CNC(=O)c2cc(c[nH]2)-c2n[nH]cc2-c2cccc(Cl)c2)cc1 Show InChI InChI=1S/C22H19ClN4O2/c1-29-18-7-5-14(6-8-18)11-25-22(28)20-10-16(12-24-20)21-19(13-26-27-21)15-3-2-4-17(23)9-15/h2-10,12-13,24H,11H2,1H3,(H,25,28)(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	840	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 JNK3 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
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM15617 (4-(4-(3-Chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrol-2...) Show SMILES Clc1cccc(c1)-c1c[nH]nc1-c1c[nH]c(c1)C(=O)N1CCOCC1 Show InChI InChI=1S/C18H17ClN4O2/c19-14-3-1-2-12(8-14)15-11-21-22-17(15)13-9-16(20-10-13)18(24)23-4-6-25-7-5-23/h1-3,8-11,20H,4-7H2,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	870	-35.2	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 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
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM15616 (4-(3-chlorophenyl)-3-[5-(pyrrolidin-1-ylcarbonyl)-...) Show SMILES Clc1cccc(c1)-c1c[nH]nc1-c1c[nH]c(c1)C(=O)N1CCCC1 Show InChI InChI=1S/C18H17ClN4O/c19-14-5-3-4-12(8-14)15-11-21-22-17(15)13-9-16(20-10-13)18(24)23-6-1-2-7-23/h3-5,8-11,20H,1-2,6-7H2,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.80E+3	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 JNK3 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
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM15620 (4-(4-(3-Chlorophenyl)-1H-pyrazol-3-yl)-N-phenyl-1H...) Show SMILES Clc1cccc(c1)-c1c[nH]nc1-c1c[nH]c(c1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C20H15ClN4O/c21-15-6-4-5-13(9-15)17-12-23-25-19(17)14-10-18(22-11-14)20(26)24-16-7-2-1-3-8-16/h1-12,22H,(H,23,25)(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	-33.1	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 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
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM15614 (N,N-dimethyl-4-(4-phenyl-1H-pyrazol-3-yl)-1H-pyrro...) Show SMILES CN(C)C(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1ccccc1 Show InChI InChI=1S/C16H16N4O/c1-20(2)16(21)14-8-12(9-17-14)15-13(10-18-19-15)11-6-4-3-5-7-11/h3-10,17H,1-2H3,(H,18,19)	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	2.30E+3	-32.7	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 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))	BDBM15635 ((2S)-2-({4-[4-(3-chlorophenyl)-1H-pyrazol-3-yl]-1H...) Show SMILES CNC(=O)[C@@H](NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1ccccc1 |r| Show InChI InChI=1S/C23H20ClN5O2/c1-25-23(31)21(14-6-3-2-4-7-14)28-22(30)19-11-16(12-26-19)20-18(13-27-29-20)15-8-5-9-17(24)10-15/h2-13,21,26H,1H3,(H,25,31)(H,27,29)(H,28,30)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.30E+3	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
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM15638 (4-(4-(3-Chlorophenyl)-1H-pyrazol-3-yl)-N-(1-(4-chl...) Show SMILES OCC(NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H18Cl2N4O2/c23-16-6-4-13(5-7-16)20(12-29)27-22(30)19-9-15(10-25-19)21-18(11-26-28-21)14-2-1-3-17(24)8-14/h1-11,20,25,29H,12H2,(H,26,28)(H,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.50E+3	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 JNK3 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
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM15639 (4-(4-(3-Chlorophenyl)-1H-pyrazol-3-yl)-N-(1-(4-(tr...) Show SMILES OCC(NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C23H18ClF3N4O2/c24-17-3-1-2-14(8-17)18-11-29-31-21(18)15-9-19(28-10-15)22(33)30-20(12-32)13-4-6-16(7-5-13)23(25,26)27/h1-11,20,28,32H,12H2,(H,29,31)(H,30,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.70E+3	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 JNK3 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
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM15618 (4-(4-(3-Chlorophenyl)-1H-pyrazol-3-yl)-N-((tetrahy...) Show SMILES Clc1cccc(c1)-c1c[nH]nc1-c1c[nH]c(c1)C(=O)NCC1CCCO1 Show InChI InChI=1S/C19H19ClN4O2/c20-14-4-1-3-12(7-14)16-11-23-24-18(16)13-8-17(21-9-13)19(25)22-10-15-5-2-6-26-15/h1,3-4,7-9,11,15,21H,2,5-6,10H2,(H,22,25)(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.70E+3	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 JNK3 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
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM15642 (4-(4-(3-Chlorophenyl)-1H-pyrazol-3-yl)-N-(1-(3,4-d...) Show SMILES OCC(NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1ccc(F)c(F)c1 Show InChI InChI=1S/C22H17ClF2N4O2/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)13-4-5-17(24)18(25)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	PC cid PC sid UniChem Similars	Article PubMed	2.80E+3	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 JNK3 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
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM15632 (4-(4-(3-Chlorophenyl)-1H-pyrazol-3-yl)-N-((S)-2-hy...) Show SMILES OC[C@@H](NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1ccccc1 |r| Show InChI InChI=1S/C22H19ClN4O2/c23-17-8-4-7-15(9-17)18-12-25-27-21(18)16-10-19(24-11-16)22(29)26-20(13-28)14-5-2-1-3-6-14/h1-12,20,24,28H,13H2,(H,25,27)(H,26,29)/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	2.80E+3	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 JNK3 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
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM15629 (N-(Benzyloxy)-4-(4-(3-chlorophenyl)-1H-pyrazol-3-y...) Show SMILES Clc1cccc(c1)-c1c[nH]nc1-c1c[nH]c(c1)C(=O)NOCc1ccccc1 Show InChI InChI=1S/C21H17ClN4O2/c22-17-8-4-7-15(9-17)18-12-24-25-20(18)16-10-19(23-11-16)21(27)26-28-13-14-5-2-1-3-6-14/h1-12,23H,13H2,(H,24,25)(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.90E+3	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 JNK3 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
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM15641 (4-(4-(3-Chlorophenyl)-1H-pyrazol-3-yl)-N-(1-(3-flu...) Show SMILES OCC(NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1cccc(F)c1 Show InChI InChI=1S/C22H18ClFN4O2/c23-16-5-1-3-13(7-16)18-11-26-28-21(18)15-9-19(25-10-15)22(30)27-20(12-29)14-4-2-6-17(24)8-14/h1-11,20,25,29H,12H2,(H,26,28)(H,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.00E+3	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 JNK3 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
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM15640 (4-(4-(3-Chlorophenyl)-1H-pyrazol-3-yl)-N-(1-(2-flu...) Show SMILES OCC(NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1ccccc1F Show InChI InChI=1S/C22H18ClFN4O2/c23-15-5-3-4-13(8-15)17-11-26-28-21(17)14-9-19(25-10-14)22(30)27-20(12-29)16-6-1-2-7-18(16)24/h1-11,20,25,29H,12H2,(H,26,28)(H,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.10E+3	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 JNK3 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
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM15630 (4-(4-(3-Chlorophenyl)-1H-pyrazol-3-yl)-N-((R)-1-ph...) Show SMILES C[C@@H](NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1ccccc1 |r| Show InChI InChI=1S/C22H19ClN4O/c1-14(15-6-3-2-4-7-15)26-22(28)20-11-17(12-24-20)21-19(13-25-27-21)16-8-5-9-18(23)10-16/h2-14,24H,1H3,(H,25,27)(H,26,28)/t14-/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	3.10E+3	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 JNK3 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
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM15636 (4-(4-(3-Chlorophenyl)-1H-pyrazol-3-yl)-N-(2,3-dihy...) Show SMILES OC1Cc2ccccc2C1NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1 Show InChI InChI=1S/C23H19ClN4O2/c24-16-6-3-5-13(8-16)18-12-26-28-21(18)15-9-19(25-11-15)23(30)27-22-17-7-2-1-4-14(17)10-20(22)29/h1-9,11-12,20,22,25,29H,10H2,(H,26,28)(H,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.20E+3	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 JNK3 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
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM15634 ((2S)-2-({4-[4-(3-chlorophenyl)-1H-pyrazol-3-yl]-1H...) Show SMILES NC(=O)[C@@H](NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1ccccc1 |r| Show InChI InChI=1S/C22H18ClN5O2/c23-16-8-4-7-14(9-16)17-12-26-28-19(17)15-10-18(25-11-15)22(30)27-20(21(24)29)13-5-2-1-3-6-13/h1-12,20,25H,(H2,24,29)(H,26,28)(H,27,30)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.30E+3	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 JNK3 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
Mitogen-activated protein kinase 10 (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	3.40E+3	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 JNK3 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
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM15635 ((2S)-2-({4-[4-(3-chlorophenyl)-1H-pyrazol-3-yl]-1H...) Show SMILES CNC(=O)[C@@H](NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1ccccc1 |r| Show InChI InChI=1S/C23H20ClN5O2/c1-25-23(31)21(14-6-3-2-4-7-14)28-22(30)19-11-16(12-26-19)20-18(13-27-29-20)15-8-5-9-17(24)10-15/h2-13,21,26H,1H3,(H,25,31)(H,27,29)(H,28,30)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.90E+3	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 JNK3 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
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM15637 (4-(4-(3-Chlorophenyl)-1H-pyrazol-3-yl)-N-(1-(4-flu...) Show SMILES OCC(NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1ccc(F)cc1 Show InChI InChI=1S/C22H18ClFN4O2/c23-16-3-1-2-14(8-16)18-11-26-28-21(18)15-9-19(25-10-15)22(30)27-20(12-29)13-4-6-17(24)7-5-13/h1-11,20,25,29H,12H2,(H,26,28)(H,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>4.00E+3	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 JNK3 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
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM15633 ((2S)-2-({4-[4-(3-chlorophenyl)-1H-pyrazol-3-yl]-1H...) Show SMILES OC(=O)[C@@H](NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1ccccc1 |r| Show InChI InChI=1S/C22H17ClN4O3/c23-16-8-4-7-14(9-16)17-12-25-27-19(17)15-10-18(24-11-15)21(28)26-20(22(29)30)13-5-2-1-3-6-13/h1-12,20,24H,(H,25,27)(H,26,28)(H,29,30)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>4.00E+3	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 JNK3 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
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM15631 (4-(4-(3-Chlorophenyl)-1H-pyrazol-3-yl)-N-((S)-1-ph...) Show SMILES C[C@H](NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1ccccc1 |r| Show InChI InChI=1S/C22H19ClN4O/c1-14(15-6-3-2-4-7-15)26-22(28)20-11-17(12-24-20)21-19(13-25-27-21)16-8-5-9-18(23)10-16/h2-14,24H,1H3,(H,25,27)(H,26,28)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>4.00E+3	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 JNK3 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

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