Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with all data for assayid = 4 entry = 50010904   

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
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50095232 (6-Methoxy-7-(3-morpholin-4-yl-propoxy)-4-(4-phenox...) Show SMILES COc1cc2c(Nc3ccc(Oc4ccccc4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C30H30N4O4/c1-35-28-18-26-27(19-29(28)37-15-5-12-34-13-16-36-17-14-34)32-21-22(20-31)30(26)33-23-8-10-25(11-9-23)38-24-6-3-2-4-7-24/h2-4,6-11,18-19,21H,5,12-17H2,1H3,(H,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using direct MEK assay (which by-passes the need for activated R...				Bioorg Med Chem Lett 11: 1407-10 (2001) BindingDB Entry DOI: 10.7270/Q2RB73WF
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50095226 (6,7-Dimethoxy-4-(4-phenoxy-phenylamino)-quinoline-...) Show SMILES COc1cc2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c2cc1OC Show InChI InChI=1S/C24H19N3O3/c1-28-22-12-20-21(13-23(22)29-2)26-15-16(14-25)24(20)27-17-8-10-19(11-9-17)30-18-6-4-3-5-7-18/h3-13,15H,1-2H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using direct MEK assay (which by-passes the need for activated R...				Bioorg Med Chem Lett 11: 1407-10 (2001) BindingDB Entry DOI: 10.7270/Q2RB73WF
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50099984 (4-(4-Furan-3-ylmethyl-phenylamino)-6-methoxy-7-(3-...) Show SMILES COc1cc2c(Nc3ccc(Cc4ccoc4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C29H30N4O4/c1-34-27-16-25-26(17-28(27)37-11-2-8-33-9-13-35-14-10-33)31-19-23(18-30)29(25)32-24-5-3-21(4-6-24)15-22-7-12-36-20-22/h3-7,12,16-17,19-20H,2,8-11,13-15H2,1H3,(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using direct MEK assay (which by-passes the need for activated R...				Bioorg Med Chem Lett 11: 1407-10 (2001) BindingDB Entry DOI: 10.7270/Q2RB73WF
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50099978 (4-(4-Furan-2-ylmethyl-phenylamino)-6-methoxy-7-(3-...) Show SMILES COc1cc2c(Nc3ccc(Cc4ccco4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C29H30N4O4/c1-34-27-17-25-26(18-28(27)37-13-3-9-33-10-14-35-15-11-33)31-20-22(19-30)29(25)32-23-7-5-21(6-8-23)16-24-4-2-12-36-24/h2,4-8,12,17-18,20H,3,9-11,13-16H2,1H3,(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using direct MEK assay (which by-passes the need for activated R...				Bioorg Med Chem Lett 11: 1407-10 (2001) BindingDB Entry DOI: 10.7270/Q2RB73WF
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50099979 (6-Methoxy-7-(3-morpholin-4-yl-propoxy)-4-(4-pyridi...) Show SMILES COc1cc2c(Nc3ccc(Cc4ccccn4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C30H31N5O3/c1-36-28-18-26-27(19-29(28)38-14-4-11-35-12-15-37-16-13-35)33-21-23(20-31)30(26)34-24-8-6-22(7-9-24)17-25-5-2-3-10-32-25/h2-3,5-10,18-19,21H,4,11-17H2,1H3,(H,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using direct MEK assay (which by-passes the need for activated R...				Bioorg Med Chem Lett 11: 1407-10 (2001) BindingDB Entry DOI: 10.7270/Q2RB73WF
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50099988 (6-Methoxy-7-(3-morpholin-4-yl-propoxy)-4-[4-(pyrid...) Show SMILES COc1cc2c(Nc3ccc(Oc4ccncc4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C29H29N5O4/c1-35-27-17-25-26(18-28(27)37-14-2-11-34-12-15-36-16-13-34)32-20-21(19-30)29(25)33-22-3-5-23(6-4-22)38-24-7-9-31-10-8-24/h3-10,17-18,20H,2,11-16H2,1H3,(H,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using direct MEK assay (which by-passes the need for activated R...				Bioorg Med Chem Lett 11: 1407-10 (2001) BindingDB Entry DOI: 10.7270/Q2RB73WF
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50099976 (6-Methoxy-7-(3-morpholin-4-yl-propoxy)-4-(4-pyridi...) Show SMILES COc1cc2c(Nc3ccc(Cc4cccnc4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C30H31N5O3/c1-36-28-17-26-27(18-29(28)38-13-3-10-35-11-14-37-15-12-35)33-21-24(19-31)30(26)34-25-7-5-22(6-8-25)16-23-4-2-9-32-20-23/h2,4-9,17-18,20-21H,3,10-16H2,1H3,(H,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using direct MEK assay (which by-passes the need for activated R...				Bioorg Med Chem Lett 11: 1407-10 (2001) BindingDB Entry DOI: 10.7270/Q2RB73WF
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50095239 (6,7-Dimethoxy-4-(3-phenoxy-phenylamino)-quinoline-...) Show SMILES COc1cc2ncc(C#N)c(Nc3cccc(Oc4ccccc4)c3)c2cc1OC Show InChI InChI=1S/C24H19N3O3/c1-28-22-12-20-21(13-23(22)29-2)26-15-16(14-25)24(20)27-17-7-6-10-19(11-17)30-18-8-4-3-5-9-18/h3-13,15H,1-2H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using direct MEK assay (which by-passes the need for activated R...				Bioorg Med Chem Lett 11: 1407-10 (2001) BindingDB Entry DOI: 10.7270/Q2RB73WF
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50099985 (4-(4-Cyclohexylsulfanyl-phenylamino)-6-methoxy-7-(...) Show SMILES COc1cc2c(Nc3ccc(SC4CCCCC4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C30H36N4O3S/c1-35-28-18-26-27(19-29(28)37-15-5-12-34-13-16-36-17-14-34)32-21-22(20-31)30(26)33-23-8-10-25(11-9-23)38-24-6-3-2-4-7-24/h8-11,18-19,21,24H,2-7,12-17H2,1H3,(H,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using direct MEK assay (which by-passes the need for activated R...				Bioorg Med Chem Lett 11: 1407-10 (2001) BindingDB Entry DOI: 10.7270/Q2RB73WF
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50099977 (6,7-Dimethoxy-4-(4-phenylamino-phenylamino)-quinol...) Show SMILES COc1cc2ncc(C#N)c(Nc3ccc(Nc4ccccc4)cc3)c2cc1OC Show InChI InChI=1S/C24H20N4O2/c1-29-22-12-20-21(13-23(22)30-2)26-15-16(14-25)24(20)28-19-10-8-18(9-11-19)27-17-6-4-3-5-7-17/h3-13,15,27H,1-2H3,(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using direct MEK assay (which by-passes the need for activated R...				Bioorg Med Chem Lett 11: 1407-10 (2001) BindingDB Entry DOI: 10.7270/Q2RB73WF
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50099980 (6,7-Dimethoxy-4-(4-methylsulfanyl-phenylamino)-qui...) Show SMILES COc1cc2ncc(C#N)c(Nc3ccc(SC)cc3)c2cc1OC Show InChI InChI=1S/C19H17N3O2S/c1-23-17-8-15-16(9-18(17)24-2)21-11-12(10-20)19(15)22-13-4-6-14(25-3)7-5-13/h4-9,11H,1-3H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using direct MEK assay (which by-passes the need for activated R...				Bioorg Med Chem Lett 11: 1407-10 (2001) BindingDB Entry DOI: 10.7270/Q2RB73WF
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50099972 (6,7-Dimethoxy-4-(4-methoxy-phenylamino)-quinoline-...) Show SMILES COc1ccc(Nc2c(cnc3cc(OC)c(OC)cc23)C#N)cc1 Show InChI InChI=1S/C19H17N3O3/c1-23-14-6-4-13(5-7-14)22-19-12(10-20)11-21-16-9-18(25-3)17(24-2)8-15(16)19/h4-9,11H,1-3H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using direct MEK assay (which by-passes the need for activated R...				Bioorg Med Chem Lett 11: 1407-10 (2001) BindingDB Entry DOI: 10.7270/Q2RB73WF
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50095238 (6,7-Dimethoxy-4-(2-phenoxy-phenylamino)-quinoline-...) Show SMILES COc1cc2ncc(C#N)c(Nc3ccccc3Oc3ccccc3)c2cc1OC Show InChI InChI=1S/C24H19N3O3/c1-28-22-12-18-20(13-23(22)29-2)26-15-16(14-25)24(18)27-19-10-6-7-11-21(19)30-17-8-4-3-5-9-17/h3-13,15H,1-2H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using direct MEK assay (which by-passes the need for activated R...				Bioorg Med Chem Lett 11: 1407-10 (2001) BindingDB Entry DOI: 10.7270/Q2RB73WF
					More data for this Ligand-Target Pair