Compile Data Set for Download or QSAR

Found 63 hits Enz. Inhib. hit(s) with all data for entry = 50017876   

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))	BDBM50187848 (5-(2,3-dichlorophenylamino)-3-hydroxy-N-(1-hydroxy...) Show SMILES CC(CO)NC(=N)c1c(Nc2cccc(Cl)c2Cl)s[nH]c1=O Show InChI InChI=1S/C13H14Cl2N4O2S/c1-6(5-20)17-11(16)9-12(21)19-22-13(9)18-8-4-2-3-7(14)10(8)15/h2-4,6,18,20H,5H2,1H3,(H2,16,17)(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Valeant Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MEK1				Bioorg Med Chem Lett 16: 3975-80 (2006) Article DOI: 10.1016/j.bmcl.2006.05.019 BindingDB Entry DOI: 10.7270/Q2SJ1K6C
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50187817 (5-(2-chloro-4-iodophenylamino)-3-hydroxy-N-isoprop...) Show SMILES CC(C)NC(=N)c1c(Nc2ccc(I)cc2Cl)s[nH]c1=O Show InChI InChI=1S/C13H14ClIN4OS/c1-6(2)17-11(16)10-12(20)19-21-13(10)18-9-4-3-7(15)5-8(9)14/h3-6,18H,1-2H3,(H2,16,17)(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Valeant Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MEK1				Bioorg Med Chem Lett 16: 3975-80 (2006) Article DOI: 10.1016/j.bmcl.2006.05.019 BindingDB Entry DOI: 10.7270/Q2SJ1K6C
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50187818 (5-(2-chloro-4-iodophenylamino)-3-hydroxy-N-(1-hydr...) Show SMILES CC(CO)NC(=N)c1c(Nc2ccc(I)cc2Cl)s[nH]c1=O Show InChI InChI=1S/C13H14ClIN4O2S/c1-6(5-20)17-11(16)10-12(21)19-22-13(10)18-9-3-2-7(15)4-8(9)14/h2-4,6,18,20H,5H2,1H3,(H2,16,17)(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Valeant Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MEK1				Bioorg Med Chem Lett 16: 3975-80 (2006) Article DOI: 10.1016/j.bmcl.2006.05.019 BindingDB Entry DOI: 10.7270/Q2SJ1K6C
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50187841 (3-hydroxy-5-(4-iodo-2-methylphenylamino)-N-isoprop...) Show SMILES CC(C)NC(=N)c1c(Nc2ccc(I)cc2C)s[nH]c1=O Show InChI InChI=1S/C14H17IN4OS/c1-7(2)17-12(16)11-13(20)19-21-14(11)18-10-5-4-9(15)6-8(10)3/h4-7,18H,1-3H3,(H2,16,17)(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Valeant Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MEK1				Bioorg Med Chem Lett 16: 3975-80 (2006) Article DOI: 10.1016/j.bmcl.2006.05.019 BindingDB Entry DOI: 10.7270/Q2SJ1K6C
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50187801 (5-(2-chloro-4-(trifluoromethyl)phenylamino)-3-hydr...) Show SMILES CC(C)NC(=N)c1c(Nc2ccc(cc2Cl)C(F)(F)F)s[nH]c1=O Show InChI InChI=1S/C14H14ClF3N4OS/c1-6(2)20-11(19)10-12(23)22-24-13(10)21-9-4-3-7(5-8(9)15)14(16,17)18/h3-6,21H,1-2H3,(H2,19,20)(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Valeant Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MEK1				Bioorg Med Chem Lett 16: 3975-80 (2006) Article DOI: 10.1016/j.bmcl.2006.05.019 BindingDB Entry DOI: 10.7270/Q2SJ1K6C
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50187855 (3-hydroxy-N-(1-hydroxypropan-2-yl)-5-(4-iodo-2-met...) Show SMILES CC(CO)NC(=N)c1c(Nc2ccc(I)cc2C)s[nH]c1=O Show InChI InChI=1S/C14H17IN4O2S/c1-7-5-9(15)3-4-10(7)18-14-11(13(21)19-22-14)12(16)17-8(2)6-20/h3-5,8,18,20H,6H2,1-2H3,(H2,16,17)(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Valeant Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MEK1				Bioorg Med Chem Lett 16: 3975-80 (2006) Article DOI: 10.1016/j.bmcl.2006.05.019 BindingDB Entry DOI: 10.7270/Q2SJ1K6C
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50187845 (5-(2-chloro-4-(trifluoromethyl)phenylamino)-3-hydr...) Show SMILES CC(CO)NC(=N)c1c(Nc2ccc(cc2Cl)C(F)(F)F)s[nH]c1=O Show InChI InChI=1S/C14H14ClF3N4O2S/c1-6(5-23)20-11(19)10-12(24)22-25-13(10)21-9-3-2-7(4-8(9)15)14(16,17)18/h2-4,6,21,23H,5H2,1H3,(H2,19,20)(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
Valeant Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MEK1				Bioorg Med Chem Lett 16: 3975-80 (2006) Article DOI: 10.1016/j.bmcl.2006.05.019 BindingDB Entry DOI: 10.7270/Q2SJ1K6C
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50187812 (5-(2,3-dichlorophenylamino)-3-hydroxy-N-isopropyli...) Show SMILES CC(C)NC(=N)c1c(Nc2cccc(Cl)c2Cl)s[nH]c1=O Show InChI InChI=1S/C13H14Cl2N4OS/c1-6(2)17-11(16)9-12(20)19-21-13(9)18-8-5-3-4-7(14)10(8)15/h3-6,18H,1-2H3,(H2,16,17)(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Valeant Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MEK1				Bioorg Med Chem Lett 16: 3975-80 (2006) Article DOI: 10.1016/j.bmcl.2006.05.019 BindingDB Entry DOI: 10.7270/Q2SJ1K6C
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50187815 (5-(2,4-dichlorophenylamino)-3-hydroxyisothiazole-4...) Show SMILES Clc1ccc(Nc2s[nH]c(=O)c2C#N)c(Cl)c1 Show InChI InChI=1S/C10H5Cl2N3OS/c11-5-1-2-8(7(12)3-5)14-10-6(4-13)9(16)15-17-10/h1-3,14H,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Valeant Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MEK1				Bioorg Med Chem Lett 16: 3975-80 (2006) Article DOI: 10.1016/j.bmcl.2006.05.019 BindingDB Entry DOI: 10.7270/Q2SJ1K6C
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50187857 (CHEMBL377592 | methyl 4-(4-(N-(cyclohexylmethyl)ca...) Show SMILES COC(=O)c1ccc(Nc2s[nH]c(=O)c2C(=N)NCC2CCCCC2)cc1 Show InChI InChI=1S/C19H24N4O3S/c1-26-19(25)13-7-9-14(10-8-13)22-18-15(17(24)23-27-18)16(20)21-11-12-5-3-2-4-6-12/h7-10,12,22H,2-6,11H2,1H3,(H2,20,21)(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Valeant Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MEK1				Bioorg Med Chem Lett 16: 3975-80 (2006) Article DOI: 10.1016/j.bmcl.2006.05.019 BindingDB Entry DOI: 10.7270/Q2SJ1K6C
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50187852 (CHEMBL380328 | N-(cyclohexylmethyl)-5-(2,4-dichlor...) Show SMILES Clc1ccc(Nc2s[nH]c(=O)c2C(=N)NCC2CCCCC2)c(Cl)c1 Show InChI InChI=1S/C17H20Cl2N4OS/c18-11-6-7-13(12(19)8-11)22-17-14(16(24)23-25-17)15(20)21-9-10-4-2-1-3-5-10/h6-8,10,22H,1-5,9H2,(H2,20,21)(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Valeant Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MEK1				Bioorg Med Chem Lett 16: 3975-80 (2006) Article DOI: 10.1016/j.bmcl.2006.05.019 BindingDB Entry DOI: 10.7270/Q2SJ1K6C
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50187829 (5-(4-chlorophenylamino)-3-hydroxyisothiazole-4-car...) Show SMILES Clc1ccc(Nc2s[nH]c(=O)c2C#N)cc1 Show InChI InChI=1S/C10H6ClN3OS/c11-6-1-3-7(4-2-6)13-10-8(5-12)9(15)14-16-10/h1-4,13H,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Valeant Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MEK1				Bioorg Med Chem Lett 16: 3975-80 (2006) Article DOI: 10.1016/j.bmcl.2006.05.019 BindingDB Entry DOI: 10.7270/Q2SJ1K6C
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50187830 (5-(4-chlorophenylamino)-N-(cyclohexylmethyl)-3-hyd...) Show SMILES Clc1ccc(Nc2s[nH]c(=O)c2C(=N)NCC2CCCCC2)cc1 Show InChI InChI=1S/C17H21ClN4OS/c18-12-6-8-13(9-7-12)21-17-14(16(23)22-24-17)15(19)20-10-11-4-2-1-3-5-11/h6-9,11,21H,1-5,10H2,(H2,19,20)(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Valeant Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MEK1				Bioorg Med Chem Lett 16: 3975-80 (2006) Article DOI: 10.1016/j.bmcl.2006.05.019 BindingDB Entry DOI: 10.7270/Q2SJ1K6C
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50187850 (5-(4-bromophenylamino)-N-(cyclohexylmethyl)-3-hydr...) Show SMILES Brc1ccc(Nc2s[nH]c(=O)c2C(=N)NCC2CCCCC2)cc1 Show InChI InChI=1S/C17H21BrN4OS/c18-12-6-8-13(9-7-12)21-17-14(16(23)22-24-17)15(19)20-10-11-4-2-1-3-5-11/h6-9,11,21H,1-5,10H2,(H2,19,20)(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Valeant Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MEK1				Bioorg Med Chem Lett 16: 3975-80 (2006) Article DOI: 10.1016/j.bmcl.2006.05.019 BindingDB Entry DOI: 10.7270/Q2SJ1K6C
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50187813 (5-(3-bromophenylamino)-N-(cyclohexylmethyl)-3-hydr...) Show SMILES Brc1cccc(Nc2s[nH]c(=O)c2C(=N)NCC2CCCCC2)c1 Show InChI InChI=1S/C17H21BrN4OS/c18-12-7-4-8-13(9-12)21-17-14(16(23)22-24-17)15(19)20-10-11-5-2-1-3-6-11/h4,7-9,11,21H,1-3,5-6,10H2,(H2,19,20)(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Valeant Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MEK1				Bioorg Med Chem Lett 16: 3975-80 (2006) Article DOI: 10.1016/j.bmcl.2006.05.019 BindingDB Entry DOI: 10.7270/Q2SJ1K6C
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50187831 (5-(3-bromophenylamino)-3-hydroxyisothiazole-4-carb...) Show SMILES Brc1cccc(Nc2s[nH]c(=O)c2C#N)c1 Show InChI InChI=1S/C10H6BrN3OS/c11-6-2-1-3-7(4-6)13-10-8(5-12)9(15)14-16-10/h1-4,13H,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Valeant Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MEK1				Bioorg Med Chem Lett 16: 3975-80 (2006) Article DOI: 10.1016/j.bmcl.2006.05.019 BindingDB Entry DOI: 10.7270/Q2SJ1K6C
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50187838 (5-(3-chlorophenylamino)-N-(cyclohexylmethyl)-3-hyd...) Show SMILES Clc1cccc(Nc2s[nH]c(=O)c2C(=N)NCC2CCCCC2)c1 Show InChI InChI=1S/C17H21ClN4OS/c18-12-7-4-8-13(9-12)21-17-14(16(23)22-24-17)15(19)20-10-11-5-2-1-3-6-11/h4,7-9,11,21H,1-3,5-6,10H2,(H2,19,20)(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Valeant Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MEK1				Bioorg Med Chem Lett 16: 3975-80 (2006) Article DOI: 10.1016/j.bmcl.2006.05.019 BindingDB Entry DOI: 10.7270/Q2SJ1K6C
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50187821 (3-hydroxy-5-(4-iodophenylamino)-N-isopropylisothia...) Show SMILES CC(C)NC(=N)c1c(Nc2ccc(I)cc2)s[nH]c1=O Show InChI InChI=1S/C13H15IN4OS/c1-7(2)16-11(15)10-12(19)18-20-13(10)17-9-5-3-8(14)4-6-9/h3-7,17H,1-2H3,(H2,15,16)(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
Valeant Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MEK1				Bioorg Med Chem Lett 16: 3975-80 (2006) Article DOI: 10.1016/j.bmcl.2006.05.019 BindingDB Entry DOI: 10.7270/Q2SJ1K6C
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50187827 (5-(2,5-dichlorophenylamino)-3-hydroxyisothiazole-4...) Show SMILES Clc1ccc(Cl)c(Nc2s[nH]c(=O)c2C#N)c1 Show InChI InChI=1S/C10H5Cl2N3OS/c11-5-1-2-7(12)8(3-5)14-10-6(4-13)9(16)15-17-10/h1-3,14H,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
Valeant Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MEK1				Bioorg Med Chem Lett 16: 3975-80 (2006) Article DOI: 10.1016/j.bmcl.2006.05.019 BindingDB Entry DOI: 10.7270/Q2SJ1K6C
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50187835 (5-(4-chloro-3-(trifluoromethyl)phenylamino)-3-hydr...) Show SMILES FC(F)(F)c1cc(Nc2s[nH]c(=O)c2C#N)ccc1Cl Show InChI InChI=1S/C11H5ClF3N3OS/c12-8-2-1-5(3-7(8)11(13,14)15)17-10-6(4-16)9(19)18-20-10/h1-3,17H,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
Valeant Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MEK1				Bioorg Med Chem Lett 16: 3975-80 (2006) Article DOI: 10.1016/j.bmcl.2006.05.019 BindingDB Entry DOI: 10.7270/Q2SJ1K6C
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50187856 (CHEMBL378688 | N-(cyclohexylmethyl)-3-hydroxy-5-(2...) Show SMILES COc1cc(ccc1Nc1s[nH]c(=O)c1C(=N)NCC1CCCCC1)[N+]([O-])=O Show InChI InChI=1S/C18H23N5O4S/c1-27-14-9-12(23(25)26)7-8-13(14)21-18-15(17(24)22-28-18)16(19)20-10-11-5-3-2-4-6-11/h7-9,11,21H,2-6,10H2,1H3,(H2,19,20)(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
Valeant Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MEK1				Bioorg Med Chem Lett 16: 3975-80 (2006) Article DOI: 10.1016/j.bmcl.2006.05.019 BindingDB Entry DOI: 10.7270/Q2SJ1K6C
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50187832 (CHEMBL209502 | N-(cyclohexylmethyl)-5-(2,4-dimethy...) Show SMILES Cc1ccc(Nc2s[nH]c(=O)c2C(=N)NCC2CCCCC2)c(C)c1 Show InChI InChI=1S/C19H26N4OS/c1-12-8-9-15(13(2)10-12)22-19-16(18(24)23-25-19)17(20)21-11-14-6-4-3-5-7-14/h8-10,14,22H,3-7,11H2,1-2H3,(H2,20,21)(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
Valeant Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MEK1				Bioorg Med Chem Lett 16: 3975-80 (2006) Article DOI: 10.1016/j.bmcl.2006.05.019 BindingDB Entry DOI: 10.7270/Q2SJ1K6C
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50187858 (CHEMBL378833 | N-(cyclohexylmethyl)-5-(3,5-dichlor...) Show SMILES Clc1cc(Cl)cc(Nc2s[nH]c(=O)c2C(=N)NCC2CCCCC2)c1 Show InChI InChI=1S/C17H20Cl2N4OS/c18-11-6-12(19)8-13(7-11)22-17-14(16(24)23-25-17)15(20)21-9-10-4-2-1-3-5-10/h6-8,10,22H,1-5,9H2,(H2,20,21)(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
Valeant Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MEK1				Bioorg Med Chem Lett 16: 3975-80 (2006) Article DOI: 10.1016/j.bmcl.2006.05.019 BindingDB Entry DOI: 10.7270/Q2SJ1K6C
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50187807 (5-(3,5-dichlorophenylamino)-3-hydroxyisothiazole-4...) Show SMILES Clc1cc(Cl)cc(Nc2s[nH]c(=O)c2C#N)c1 Show InChI InChI=1S/C10H5Cl2N3OS/c11-5-1-6(12)3-7(2-5)14-10-8(4-13)9(16)15-17-10/h1-3,14H,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Valeant Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MEK1				Bioorg Med Chem Lett 16: 3975-80 (2006) Article DOI: 10.1016/j.bmcl.2006.05.019 BindingDB Entry DOI: 10.7270/Q2SJ1K6C
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50187822 (5-(p-toluidino)-N-(cyclohexylmethyl)-3-hydroxyisot...) Show SMILES Cc1ccc(Nc2s[nH]c(=O)c2C(=N)NCC2CCCCC2)cc1 Show InChI InChI=1S/C18H24N4OS/c1-12-7-9-14(10-8-12)21-18-15(17(23)22-24-18)16(19)20-11-13-5-3-2-4-6-13/h7-10,13,21H,2-6,11H2,1H3,(H2,19,20)(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Valeant Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MEK1				Bioorg Med Chem Lett 16: 3975-80 (2006) Article DOI: 10.1016/j.bmcl.2006.05.019 BindingDB Entry DOI: 10.7270/Q2SJ1K6C
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50187822 (5-(p-toluidino)-N-(cyclohexylmethyl)-3-hydroxyisot...) Show SMILES Cc1ccc(Nc2s[nH]c(=O)c2C(=N)NCC2CCCCC2)cc1 Show InChI InChI=1S/C18H24N4OS/c1-12-7-9-14(10-8-12)21-18-15(17(23)22-24-18)16(19)20-11-13-5-3-2-4-6-13/h7-10,13,21H,2-6,11H2,1H3,(H2,19,20)(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Valeant Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MEK1				Bioorg Med Chem Lett 16: 3975-80 (2006) Article DOI: 10.1016/j.bmcl.2006.05.019 BindingDB Entry DOI: 10.7270/Q2SJ1K6C
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50187823 (CHEMBL377591 | N-(cyclohexylmethyl)-3-hydroxy-5-(p...) Show SMILES N=C(NCC1CCCCC1)c1c(Nc2cccnc2)s[nH]c1=O Show InChI InChI=1S/C16H21N5OS/c17-14(19-9-11-5-2-1-3-6-11)13-15(22)21-23-16(13)20-12-7-4-8-18-10-12/h4,7-8,10-11,20H,1-3,5-6,9H2,(H2,17,19)(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
Valeant Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MEK1				Bioorg Med Chem Lett 16: 3975-80 (2006) Article DOI: 10.1016/j.bmcl.2006.05.019 BindingDB Entry DOI: 10.7270/Q2SJ1K6C
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50187805 (5-(4-chloro-3-nitrophenylamino)-N-(cyclohexylmethy...) Show SMILES [O-][N+](=O)c1cc(Nc2s[nH]c(=O)c2C(=N)NCC2CCCCC2)ccc1Cl Show InChI InChI=1S/C17H20ClN5O3S/c18-12-7-6-11(8-13(12)23(25)26)21-17-14(16(24)22-27-17)15(19)20-9-10-4-2-1-3-5-10/h6-8,10,21H,1-5,9H2,(H2,19,20)(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
Valeant Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MEK1				Bioorg Med Chem Lett 16: 3975-80 (2006) Article DOI: 10.1016/j.bmcl.2006.05.019 BindingDB Entry DOI: 10.7270/Q2SJ1K6C
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50187862 (CHEMBL213562 | N-(cyclohexylmethyl)-3-hydroxy-5-(2...) Show SMILES COc1ccccc1Nc1s[nH]c(=O)c1C(=N)NCC1CCCCC1 Show InChI InChI=1S/C18H24N4O2S/c1-24-14-10-6-5-9-13(14)21-18-15(17(23)22-25-18)16(19)20-11-12-7-3-2-4-8-12/h5-6,9-10,12,21H,2-4,7-8,11H2,1H3,(H2,19,20)(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.44E+3	n/a	n/a	n/a	n/a	n/a	n/a
Valeant Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MEK1				Bioorg Med Chem Lett 16: 3975-80 (2006) Article DOI: 10.1016/j.bmcl.2006.05.019 BindingDB Entry DOI: 10.7270/Q2SJ1K6C
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50187820 (3-hydroxy-N-(1-hydroxypropan-2-yl)-5-(4-iodophenyl...) Show SMILES CC(CO)NC(=N)c1c(Nc2ccc(I)cc2)s[nH]c1=O Show InChI InChI=1S/C13H15IN4O2S/c1-7(6-19)16-11(15)10-12(20)18-21-13(10)17-9-4-2-8(14)3-5-9/h2-5,7,17,19H,6H2,1H3,(H2,15,16)(H,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.44E+3	n/a	n/a	n/a	n/a	n/a	n/a
Valeant Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MEK1				Bioorg Med Chem Lett 16: 3975-80 (2006) Article DOI: 10.1016/j.bmcl.2006.05.019 BindingDB Entry DOI: 10.7270/Q2SJ1K6C
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50187860 (CHEMBL209520 | N-(cyclohexylmethyl)-5-(2-fluorophe...) Show SMILES Fc1ccccc1Nc1s[nH]c(=O)c1C(=N)NCC1CCCCC1 Show InChI InChI=1S/C17H21FN4OS/c18-12-8-4-5-9-13(12)21-17-14(16(23)22-24-17)15(19)20-10-11-6-2-1-3-7-11/h4-5,8-9,11,21H,1-3,6-7,10H2,(H2,19,20)(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
Valeant Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MEK1				Bioorg Med Chem Lett 16: 3975-80 (2006) Article DOI: 10.1016/j.bmcl.2006.05.019 BindingDB Entry DOI: 10.7270/Q2SJ1K6C
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50187809 (5-(p-toluidino)-3-hydroxy-N-(piperidin-1-yl)isothi...) Show SMILES Cc1ccc(Nc2s[nH]c(=O)c2C(N)=NN2CCCCC2)cc1 |w:14.15| Show InChI InChI=1S/C16H21N5OS/c1-11-5-7-12(8-6-11)18-16-13(15(22)20-23-16)14(17)19-21-9-3-2-4-10-21/h5-8,18H,2-4,9-10H2,1H3,(H2,17,19)(H,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Valeant Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MEK1				Bioorg Med Chem Lett 16: 3975-80 (2006) Article DOI: 10.1016/j.bmcl.2006.05.019 BindingDB Entry DOI: 10.7270/Q2SJ1K6C
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50187802 (5-(p-toluidino)-N-ethyl-3-hydroxyisothiazole-4-car...) Show SMILES CCNC(=O)c1c(Nc2ccc(C)cc2)s[nH]c1=O Show InChI InChI=1S/C13H15N3O2S/c1-3-14-11(17)10-12(18)16-19-13(10)15-9-6-4-8(2)5-7-9/h4-7,15H,3H2,1-2H3,(H,14,17)(H,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Valeant Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MEK1				Bioorg Med Chem Lett 16: 3975-80 (2006) Article DOI: 10.1016/j.bmcl.2006.05.019 BindingDB Entry DOI: 10.7270/Q2SJ1K6C
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50187859 (4-(2,3-dihydro-1H-tetrazol-5-yl)-5-(3,5-dimethoxyp...) Show SMILES COc1cc(Nc2s[nH]c(=O)c2C2=NNNN2)cc(OC)c1 |t:13| Show InChI InChI=1S/C12H14N6O3S/c1-20-7-3-6(4-8(5-7)21-2)13-12-9(11(19)16-22-12)10-14-17-18-15-10/h3-5,13,17-18H,1-2H3,(H,14,15)(H,16,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Valeant Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MEK1				Bioorg Med Chem Lett 16: 3975-80 (2006) Article DOI: 10.1016/j.bmcl.2006.05.019 BindingDB Entry DOI: 10.7270/Q2SJ1K6C
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50187853 (5-(p-toluidino)-N,3-dihydroxyisothiazole-4-carboxa...) Show SMILES Cc1ccc(Nc2s[nH]c(=O)c2C(=N)NO)cc1 Show InChI InChI=1S/C11H12N4O2S/c1-6-2-4-7(5-3-6)13-11-8(9(12)14-17)10(16)15-18-11/h2-5,13,17H,1H3,(H2,12,14)(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Valeant Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MEK1				Bioorg Med Chem Lett 16: 3975-80 (2006) Article DOI: 10.1016/j.bmcl.2006.05.019 BindingDB Entry DOI: 10.7270/Q2SJ1K6C
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50187826 (3-hydroxy-5-(1-phenylethylamino)isothiazole-4-carb...) Show SMILES CC(Nc1s[nH]c(=O)c1C#N)c1ccccc1 Show InChI InChI=1S/C12H11N3OS/c1-8(9-5-3-2-4-6-9)14-12-10(7-13)11(16)15-17-12/h2-6,8,14H,1H3,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Valeant Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MEK1				Bioorg Med Chem Lett 16: 3975-80 (2006) Article DOI: 10.1016/j.bmcl.2006.05.019 BindingDB Entry DOI: 10.7270/Q2SJ1K6C
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50187828 (3-hydroxy-5-(2-methoxyphenylamino)isothiazole-4-ca...) Show SMILES COc1ccccc1Nc1s[nH]c(=O)c1C#N Show InChI InChI=1S/C11H9N3O2S/c1-16-9-5-3-2-4-8(9)13-11-7(6-12)10(15)14-17-11/h2-5,13H,1H3,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Valeant Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MEK1				Bioorg Med Chem Lett 16: 3975-80 (2006) Article DOI: 10.1016/j.bmcl.2006.05.019 BindingDB Entry DOI: 10.7270/Q2SJ1K6C
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50187843 (3-hydroxy-5-(2-nitrophenylamino)isothiazole-4-carb...) Show SMILES [O-][N+](=O)c1ccccc1Nc1s[nH]c(=O)c1C#N Show InChI InChI=1S/C10H6N4O3S/c11-5-6-9(15)13-18-10(6)12-7-3-1-2-4-8(7)14(16)17/h1-4,12H,(H,13,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Valeant Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MEK1				Bioorg Med Chem Lett 16: 3975-80 (2006) Article DOI: 10.1016/j.bmcl.2006.05.019 BindingDB Entry DOI: 10.7270/Q2SJ1K6C
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50187824 (CHEMBL210154 | methyl 3-(4-cyano-3-hydroxyisothiaz...) Show SMILES COC(=O)c1cccc(Nc2s[nH]c(=O)c2C#N)c1 Show InChI InChI=1S/C12H9N3O3S/c1-18-12(17)7-3-2-4-8(5-7)14-11-9(6-13)10(16)15-19-11/h2-5,14H,1H3,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Valeant Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MEK1				Bioorg Med Chem Lett 16: 3975-80 (2006) Article DOI: 10.1016/j.bmcl.2006.05.019 BindingDB Entry DOI: 10.7270/Q2SJ1K6C
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50187836 (5-(m-toluidino)-3-hydroxyisothiazole-4-carbonitril...) Show SMILES Cc1cccc(Nc2s[nH]c(=O)c2C#N)c1 Show InChI InChI=1S/C11H9N3OS/c1-7-3-2-4-8(5-7)13-11-9(6-12)10(15)14-16-11/h2-5,13H,1H3,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Valeant Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MEK1				Bioorg Med Chem Lett 16: 3975-80 (2006) Article DOI: 10.1016/j.bmcl.2006.05.019 BindingDB Entry DOI: 10.7270/Q2SJ1K6C
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50187839 (3-methoxy-4-cyano-5-phenylamino isothiazole | CHEM...) Show SMILES COc1nsc(Nc2ccccc2)c1C#N Show InChI InChI=1S/C11H9N3OS/c1-15-10-9(7-12)11(16-14-10)13-8-5-3-2-4-6-8/h2-6,13H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Valeant Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MEK1				Bioorg Med Chem Lett 16: 3975-80 (2006) Article DOI: 10.1016/j.bmcl.2006.05.019 BindingDB Entry DOI: 10.7270/Q2SJ1K6C
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50187847 (3-hydroxy-5-(3-methoxypropylamino)isothiazole-4-ca...) Show SMILES COCCCNc1s[nH]c(=O)c1C#N Show InChI InChI=1S/C8H11N3O2S/c1-13-4-2-3-10-8-6(5-9)7(12)11-14-8/h10H,2-4H2,1H3,(H,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Valeant Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MEK1				Bioorg Med Chem Lett 16: 3975-80 (2006) Article DOI: 10.1016/j.bmcl.2006.05.019 BindingDB Entry DOI: 10.7270/Q2SJ1K6C
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50187825 (4-cyano-5-phenylamino-N-methyl-3-isothiazolone | C...) Show SMILES Cn1sc(Nc2ccccc2)c(C#N)c1=O Show InChI InChI=1S/C11H9N3OS/c1-14-11(15)9(7-12)10(16-14)13-8-5-3-2-4-6-8/h2-6,13H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Valeant Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MEK1				Bioorg Med Chem Lett 16: 3975-80 (2006) Article DOI: 10.1016/j.bmcl.2006.05.019 BindingDB Entry DOI: 10.7270/Q2SJ1K6C
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50187837 (3-hydroxy-5-(4-nitrophenylamino)isothiazole-4-carb...) Show SMILES [O-][N+](=O)c1ccc(Nc2s[nH]c(=O)c2C#N)cc1 Show InChI InChI=1S/C10H6N4O3S/c11-5-8-9(15)13-18-10(8)12-6-1-3-7(4-2-6)14(16)17/h1-4,12H,(H,13,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Valeant Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MEK1				Bioorg Med Chem Lett 16: 3975-80 (2006) Article DOI: 10.1016/j.bmcl.2006.05.019 BindingDB Entry DOI: 10.7270/Q2SJ1K6C
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50187819 (5-(p-toluidino)-3-hydroxyisothiazole-4-carbonitril...) Show SMILES Cc1ccc(Nc2s[nH]c(=O)c2C#N)cc1 Show InChI InChI=1S/C11H9N3OS/c1-7-2-4-8(5-3-7)13-11-9(6-12)10(15)14-16-11/h2-5,13H,1H3,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Valeant Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MEK1				Bioorg Med Chem Lett 16: 3975-80 (2006) Article DOI: 10.1016/j.bmcl.2006.05.019 BindingDB Entry DOI: 10.7270/Q2SJ1K6C
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50187840 (3-hydroxy-5-(piperidin-1-yl)isothiazole-4-carbonit...) Show SMILES O=c1[nH]sc(N2CCCCC2)c1C#N Show InChI InChI=1S/C9H11N3OS/c10-6-7-8(13)11-14-9(7)12-4-2-1-3-5-12/h1-5H2,(H,11,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Valeant Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MEK1				Bioorg Med Chem Lett 16: 3975-80 (2006) Article DOI: 10.1016/j.bmcl.2006.05.019 BindingDB Entry DOI: 10.7270/Q2SJ1K6C
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM60829 (3-hydroxy-5-[2-(trifluoromethyl)anilino]isothiazol...) Show SMILES FC(F)(F)c1ccccc1Nc1s[nH]c(=O)c1C#N Show InChI InChI=1S/C11H6F3N3OS/c12-11(13,14)7-3-1-2-4-8(7)16-10-6(5-15)9(18)17-19-10/h1-4,16H,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Valeant Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MEK1				Bioorg Med Chem Lett 16: 3975-80 (2006) Article DOI: 10.1016/j.bmcl.2006.05.019 BindingDB Entry DOI: 10.7270/Q2SJ1K6C
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50187816 (5-(cyclohexylmethylamino)-3-hydroxyisothiazole-4-c...) Show SMILES O=c1[nH]sc(NCC2CCCCC2)c1C#N Show InChI InChI=1S/C11H15N3OS/c12-6-9-10(15)14-16-11(9)13-7-8-4-2-1-3-5-8/h8,13H,1-5,7H2,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Valeant Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MEK1				Bioorg Med Chem Lett 16: 3975-80 (2006) Article DOI: 10.1016/j.bmcl.2006.05.019 BindingDB Entry DOI: 10.7270/Q2SJ1K6C
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50187814 (3-hydroxy-5-(4-phenoxyphenoxy)isothiazole-4-carbon...) Show SMILES O=c1[nH]sc(Oc2ccc(Oc3ccccc3)cc2)c1C#N Show InChI InChI=1S/C16H10N2O3S/c17-10-14-15(19)18-22-16(14)21-13-8-6-12(7-9-13)20-11-4-2-1-3-5-11/h1-9H,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Valeant Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MEK1				Bioorg Med Chem Lett 16: 3975-80 (2006) Article DOI: 10.1016/j.bmcl.2006.05.019 BindingDB Entry DOI: 10.7270/Q2SJ1K6C
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50187811 (5-(4-cyanophenylamino)-3-hydroxyisothiazole-4-carb...) Show SMILES O=c1[nH]sc(Nc2ccc(cc2)C#N)c1C#N Show InChI InChI=1S/C11H6N4OS/c12-5-7-1-3-8(4-2-7)14-11-9(6-13)10(16)15-17-11/h1-4,14H,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Valeant Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MEK1				Bioorg Med Chem Lett 16: 3975-80 (2006) Article DOI: 10.1016/j.bmcl.2006.05.019 BindingDB Entry DOI: 10.7270/Q2SJ1K6C
					More data for this Ligand-Target Pair

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