Compile Data Set for Download or QSAR

Found 1010 hits with Last Name = 'floyd' and Initial = 'mb'   

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 1/3 (Homo sapiens (Human))	BDBM28123 (3-cyanoquinoline, 8 | 4-({3-chloro-4-[(1-methyl-1H...) Show SMILES COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C28H29ClN6O3S/c1-34-8-6-31-28(34)39-26-5-4-20(14-22(26)29)33-27-19(17-30)18-32-23-16-25(24(36-2)15-21(23)27)38-11-3-7-35-9-12-37-13-10-35/h4-6,8,14-16,18H,3,7,9-13H2,1-2H3,(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0100	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MEK1 phosphorylation in LoVo cells				Bioorg Med Chem Lett 13: 3031-4 (2003) BindingDB Entry DOI: 10.7270/Q2P84B8T
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50161957 (4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(p...) Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human EGFR in presence of 1 uM ATP				Bioorg Med Chem 15: 3635-48 (2007) Article DOI: 10.1016/j.bmc.2007.03.055 BindingDB Entry DOI: 10.7270/Q2GF0VB8
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50161957 (4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(p...) Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human EGFR in presence of 1 mM ATP				Bioorg Med Chem 15: 3635-48 (2007) Article DOI: 10.1016/j.bmc.2007.03.055 BindingDB Entry DOI: 10.7270/Q2GF0VB8
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50002445 (CHEMBL2113171) Show SMILES COCCOc1cc2ncnc(NC3=CC(=O)C(OC(CF)CF)=C(Cl)C3=O)c2cc1OC |t:13,23| Show InChI InChI=1S/C21H20ClF2N3O6/c1-30-3-4-32-17-7-13-12(5-16(17)31-2)21(26-10-25-13)27-14-6-15(28)20(18(22)19(14)29)33-11(8-23)9-24/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,25,26,27)	PDB MMDB NCI pathway 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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP				J Med Chem 48: 7560-81 (2005) Article DOI: 10.1021/jm050559f BindingDB Entry DOI: 10.7270/Q2028R3S
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM31090 ((E)-N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-eth...) Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C24H23ClFN5O2/c1-4-33-22-12-20-17(11-21(22)30-23(32)6-5-9-31(2)3)24(15(13-27)14-28-20)29-16-7-8-19(26)18(25)10-16/h5-8,10-12,14H,4,9H2,1-3H3,(H,28,29)(H,30,32)/b6-5+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human EGFR in presence of 1 uM ATP				Bioorg Med Chem 15: 3635-48 (2007) Article DOI: 10.1016/j.bmc.2007.03.055 BindingDB Entry DOI: 10.7270/Q2GF0VB8
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50002593 (CHEMBL2113187) Show SMILES COCCOc1cc2ncnc(NC3=CC(=O)C(Oc4cccc(F)c4)=CC3=O)c2cc1OC |c:26,t:13| Show InChI InChI=1S/C24H20FN3O6/c1-31-6-7-33-23-11-17-16(9-22(23)32-2)24(27-13-26-17)28-18-10-20(30)21(12-19(18)29)34-15-5-3-4-14(25)8-15/h3-5,8-13H,6-7H2,1-2H3,(H,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP				J Med Chem 48: 7560-81 (2005) Article DOI: 10.1021/jm050559f BindingDB Entry DOI: 10.7270/Q2028R3S
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50177827 (3-Chloro-2-[(3-fluorobenzyl)oxy]-5-{[6-methoxy-7-(...) Show SMILES COCCOc1cc2ncnc(N=C3CC(=O)C(OCc4cccc(F)c4)=C(Cl)C3=O)c2cc1OC |w:12.11,t:27| Show InChI InChI=1S/C25H21ClFN3O6/c1-33-6-7-35-21-11-17-16(9-20(21)34-2)25(29-13-28-17)30-18-10-19(31)24(22(26)23(18)32)36-12-14-4-3-5-15(27)8-14/h3-5,8-9,11,13H,6-7,10,12H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP				J Med Chem 48: 7560-81 (2005) Article DOI: 10.1021/jm050559f BindingDB Entry DOI: 10.7270/Q2028R3S
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50002446 (CHEMBL2113172) Show SMILES COCCOc1cc2ncnc(NC3=CC(=O)C(OC)=C(Cl)C3=O)c2cc1OC |t:13,19| Show InChI InChI=1S/C19H18ClN3O6/c1-26-4-5-29-15-8-11-10(6-14(15)27-2)19(22-9-21-11)23-12-7-13(24)18(28-3)16(20)17(12)25/h6-9H,4-5H2,1-3H3,(H,21,22,23)	PDB MMDB NCI pathway 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	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP				J Med Chem 48: 7560-81 (2005) Article DOI: 10.1021/jm050559f BindingDB Entry DOI: 10.7270/Q2028R3S
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50002446 (CHEMBL2113172) Show SMILES COCCOc1cc2ncnc(NC3=CC(=O)C(OC)=C(Cl)C3=O)c2cc1OC |t:13,19| Show InChI InChI=1S/C19H18ClN3O6/c1-26-4-5-29-15-8-11-10(6-14(15)27-2)19(22-9-21-11)23-12-7-13(24)18(28-3)16(20)17(12)25/h6-9H,4-5H2,1-3H3,(H,21,22,23)	PDB MMDB NCI pathway 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	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 1 mm ATP				J Med Chem 48: 7560-81 (2005) Article DOI: 10.1021/jm050559f BindingDB Entry DOI: 10.7270/Q2028R3S
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50177852 (3-Chloro-2-ethoxy-5-{[6-methoxy-7-(2-methoxyethoxy...) Show SMILES CCOC1=C(Cl)C(=O)C(Nc2ncnc3cc(OCCOC)c(OC)cc23)=CC1=O |c:3,28| Show InChI InChI=1S/C20H20ClN3O6/c1-4-29-19-14(25)8-13(18(26)17(19)21)24-20-11-7-15(28-3)16(30-6-5-27-2)9-12(11)22-10-23-20/h7-10H,4-6H2,1-3H3,(H,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP				J Med Chem 48: 7560-81 (2005) Article DOI: 10.1021/jm050559f BindingDB Entry DOI: 10.7270/Q2028R3S
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50132262 (4-[3-Chloro-4-(1,5-dimethyl-1H-imidazol-2-ylsulfan...) Show SMILES COc1cc2c(Nc3ccc(Sc4ncc(C)n4C)c(Cl)c3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C29H31ClN6O3S/c1-19-17-33-29(35(19)2)40-27-6-5-21(13-23(27)30)34-28-20(16-31)18-32-24-15-26(25(37-3)14-22(24)28)39-10-4-7-36-8-11-38-12-9-36/h5-6,13-15,17-18H,4,7-12H2,1-3H3,(H,32,34)	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	1	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against Mitogen activated protein kinase kinase kinase 1 was determined using Raf/MEK1 coupled assay				Bioorg Med Chem Lett 13: 3031-4 (2003) BindingDB Entry DOI: 10.7270/Q2P84B8T
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50177845 (2-{[6-Methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazol...) Show SMILES COc1cc2c(N=C3CC(=O)C(OCC#Cc4ccccc4)=CC3=O)ncnc2cc1OCCCN1CCCC1 |w:6.5,c:22| Show InChI InChI=1S/C31H30N4O5/c1-38-29-17-23-24(19-30(29)40-16-8-14-35-12-5-6-13-35)32-21-33-31(23)34-25-18-27(37)28(20-26(25)36)39-15-7-11-22-9-3-2-4-10-22/h2-4,9-10,17,19-21H,5-6,8,12-16,18H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP and in presence of 100 uM glutathione				J Med Chem 48: 7560-81 (2005) Article DOI: 10.1021/jm050559f BindingDB Entry DOI: 10.7270/Q2028R3S
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50177829 (2-Chloro-3-methoxy-5-{[6-methoxy-7-(2-methoxyethox...) Show SMILES COCCOc1cc2ncnc(N=C3CC(=O)C(Cl)=C(OC)C3=O)c2cc1OC |w:12.11,t:18| Show InChI InChI=1S/C19H18ClN3O6/c1-26-4-5-29-15-8-11-10(6-14(15)27-2)19(22-9-21-11)23-12-7-13(24)16(20)18(28-3)17(12)25/h6,8-9H,4-5,7H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP				J Med Chem 48: 7560-81 (2005) Article DOI: 10.1021/jm050559f BindingDB Entry DOI: 10.7270/Q2028R3S
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50177845 (2-{[6-Methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazol...) Show SMILES COc1cc2c(N=C3CC(=O)C(OCC#Cc4ccccc4)=CC3=O)ncnc2cc1OCCCN1CCCC1 |w:6.5,c:22| Show InChI InChI=1S/C31H30N4O5/c1-38-29-17-23-24(19-30(29)40-16-8-14-35-12-5-6-13-35)32-21-33-31(23)34-25-18-27(37)28(20-26(25)36)39-15-7-11-22-9-3-2-4-10-22/h2-4,9-10,17,19-21H,5-6,8,12-16,18H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 1 mm ATP				J Med Chem 48: 7560-81 (2005) Article DOI: 10.1021/jm050559f BindingDB Entry DOI: 10.7270/Q2028R3S
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50177836 (2-{[6-Methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]a...) Show SMILES COCCOc1cc2ncnc(N=C3CC(=O)C(OCCOc4ccccc4)=CC3=O)c2cc1OC |w:12.11,c:28| Show InChI InChI=1S/C26H25N3O7/c1-32-8-9-36-25-14-19-18(12-24(25)33-2)26(28-16-27-19)29-20-13-22(31)23(15-21(20)30)35-11-10-34-17-6-4-3-5-7-17/h3-7,12,14-16H,8-11,13H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP				J Med Chem 48: 7560-81 (2005) Article DOI: 10.1021/jm050559f BindingDB Entry DOI: 10.7270/Q2028R3S
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50177845 (2-{[6-Methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazol...) Show SMILES COc1cc2c(N=C3CC(=O)C(OCC#Cc4ccccc4)=CC3=O)ncnc2cc1OCCCN1CCCC1 |w:6.5,c:22| Show InChI InChI=1S/C31H30N4O5/c1-38-29-17-23-24(19-30(29)40-16-8-14-35-12-5-6-13-35)32-21-33-31(23)34-25-18-27(37)28(20-26(25)36)39-15-7-11-22-9-3-2-4-10-22/h2-4,9-10,17,19-21H,5-6,8,12-16,18H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP and in presence of 100 uM glutathione				J Med Chem 48: 7560-81 (2005) Article DOI: 10.1021/jm050559f BindingDB Entry DOI: 10.7270/Q2028R3S
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50177845 (2-{[6-Methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazol...) Show SMILES COc1cc2c(N=C3CC(=O)C(OCC#Cc4ccccc4)=CC3=O)ncnc2cc1OCCCN1CCCC1 |w:6.5,c:22| Show InChI InChI=1S/C31H30N4O5/c1-38-29-17-23-24(19-30(29)40-16-8-14-35-12-5-6-13-35)32-21-33-31(23)34-25-18-27(37)28(20-26(25)36)39-15-7-11-22-9-3-2-4-10-22/h2-4,9-10,17,19-21H,5-6,8,12-16,18H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP and in presence of 5% mouse plasma				J Med Chem 48: 7560-81 (2005) Article DOI: 10.1021/jm050559f BindingDB Entry DOI: 10.7270/Q2028R3S
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50177848 (2-Chloro-3-isopropoxy-5-{[6-methoxy-7-(2-methoxyet...) Show SMILES COCCOc1cc2ncnc(N=C3CC(=O)C(Cl)=C(OC(C)C)C3=O)c2cc1OC |w:12.11,t:18| Show InChI InChI=1S/C21H22ClN3O6/c1-11(2)31-20-18(22)15(26)8-14(19(20)27)25-21-12-7-16(29-4)17(30-6-5-28-3)9-13(12)23-10-24-21/h7,9-11H,5-6,8H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP				J Med Chem 48: 7560-81 (2005) Article DOI: 10.1021/jm050559f BindingDB Entry DOI: 10.7270/Q2028R3S
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50132266 (4-[3-Bromo-4-(1-methyl-1H-imidazol-2-ylsulfanyl)-p...) Show SMILES COc1cc2c(Nc3ccc(Sc4nccn4C)c(Br)c3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C28H29BrN6O3S/c1-34-8-6-31-28(34)39-26-5-4-20(14-22(26)29)33-27-19(17-30)18-32-23-16-25(24(36-2)15-21(23)27)38-11-3-7-35-9-12-37-13-10-35/h4-6,8,14-16,18H,3,7,9-13H2,1-2H3,(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	2	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against Mitogen activated protein kinase kinase kinase 1 was determined using Raf/MEK1 coupled assay				Bioorg Med Chem Lett 13: 3031-4 (2003) BindingDB Entry DOI: 10.7270/Q2P84B8T
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50132261 (4-[3-Chloro-4-(1-methyl-1H-imidazol-2-ylsulfanyl)-...) Show SMILES COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(cnc2cc1OCCCN1CCS(=O)CC1)C#N Show InChI InChI=1S/C28H29ClN6O3S2/c1-34-8-6-31-28(34)39-26-5-4-20(14-22(26)29)33-27-19(17-30)18-32-23-16-25(24(37-2)15-21(23)27)38-11-3-7-35-9-12-40(36)13-10-35/h4-6,8,14-16,18H,3,7,9-13H2,1-2H3,(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	2	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against Mitogen activated protein kinase kinase kinase 1 was determined using Raf/MEK1 coupled assay				Bioorg Med Chem Lett 13: 3031-4 (2003) BindingDB Entry DOI: 10.7270/Q2P84B8T
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM28123 (3-cyanoquinoline, 8 | 4-({3-chloro-4-[(1-methyl-1H...) Show SMILES COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C28H29ClN6O3S/c1-34-8-6-31-28(34)39-26-5-4-20(14-22(26)29)33-27-19(17-30)18-32-23-16-25(24(36-2)15-21(23)27)38-11-3-7-35-9-12-37-13-10-35/h4-6,8,14-16,18H,3,7,9-13H2,1-2H3,(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	2	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against Mitogen activated protein kinase kinase kinase 1 was determined using Raf/MEK1 coupled assay				Bioorg Med Chem Lett 13: 3031-4 (2003) BindingDB Entry DOI: 10.7270/Q2P84B8T
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50132264 (4-[3-Chloro-4-(1,4,5-trimethyl-1H-imidazol-2-ylsul...) Show SMILES COc1cc2c(Nc3ccc(Sc4nc(C)c(C)n4C)c(Cl)c3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C30H33ClN6O3S/c1-19-20(2)36(3)30(34-19)41-28-7-6-22(14-24(28)31)35-29-21(17-32)18-33-25-16-27(26(38-4)15-23(25)29)40-11-5-8-37-9-12-39-13-10-37/h6-7,14-16,18H,5,8-13H2,1-4H3,(H,33,35)	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	2	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against Mitogen activated protein kinase kinase kinase 1 was determined using Raf/MEK1 coupled assay				Bioorg Med Chem Lett 13: 3031-4 (2003) BindingDB Entry DOI: 10.7270/Q2P84B8T
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50132260 (2-(2-Chloro-4-iodo-phenylamino)-N-cyclopropylmetho...) Show SMILES Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F Show InChI InChI=1S/C17H14ClF2IN2O2/c18-12-7-10(21)3-6-14(12)22-16-11(4-5-13(19)15(16)20)17(24)23-25-8-9-1-2-9/h3-7,9,22H,1-2,8H2,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against Mitogen activated protein kinase kinase kinase 1 was determined using Raf/MEK1 coupled assay				Bioorg Med Chem Lett 13: 3031-4 (2003) BindingDB Entry DOI: 10.7270/Q2P84B8T
					More data for this Ligand-Target Pair				3D Structure (docked)
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM28123 (3-cyanoquinoline, 8 | 4-({3-chloro-4-[(1-methyl-1H...) Show SMILES COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C28H29ClN6O3S/c1-34-8-6-31-28(34)39-26-5-4-20(14-22(26)29)33-27-19(17-30)18-32-23-16-25(24(36-2)15-21(23)27)38-11-3-7-35-9-12-37-13-10-35/h4-6,8,14-16,18H,3,7,9-13H2,1-2H3,(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	2	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against Mitogen activated protein kinase kinase kinase 1 was determined using Raf/MEK1 coupled assay				Bioorg Med Chem Lett 13: 3031-4 (2003) BindingDB Entry DOI: 10.7270/Q2P84B8T
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4567 (4-anilinoquinazoline deriv. 2 | BMC163482 Compound...) Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1 Show InChI InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of autophosphorylation of cytoplasmic domain of epidermal growth factor receptor				J Med Chem 46: 49-63 (2002) Article DOI: 10.1021/jm020241c BindingDB Entry DOI: 10.7270/Q2PV6M3H
					More data for this Ligand-Target Pair				3D Structure (crystal)
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50002578 (CHEMBL2113199) Show SMILES COc1cc2c(NC3=CC(=O)C(OCc4ccccn4)=CC3=O)ncnc2cc1OCCCN1CCCC1 |c:20,t:7| Show InChI InChI=1S/C28H29N5O5/c1-36-26-13-20-21(15-27(26)37-12-6-11-33-9-4-5-10-33)30-18-31-28(20)32-22-14-24(35)25(16-23(22)34)38-17-19-7-2-3-8-29-19/h2-3,7-8,13-16,18H,4-6,9-12,17H2,1H3,(H,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP and in presence of 5% mouse plasma				J Med Chem 48: 7560-81 (2005) Article DOI: 10.1021/jm050559f BindingDB Entry DOI: 10.7270/Q2028R3S
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50002585 (CHEMBL2113191) Show SMILES COCCOc1cc2ncnc(NC3=CC(=O)C(Cl)=C(OCC4CC4)C3=O)c2cc1OC |t:13,18| Show InChI InChI=1S/C22H22ClN3O6/c1-29-5-6-31-18-9-14-13(7-17(18)30-2)22(25-11-24-14)26-15-8-16(27)19(23)21(20(15)28)32-10-12-3-4-12/h7-9,11-12H,3-6,10H2,1-2H3,(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP				J Med Chem 48: 7560-81 (2005) Article DOI: 10.1021/jm050559f BindingDB Entry DOI: 10.7270/Q2028R3S
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50002579 (CHEMBL2113164) Show SMILES COc1cc2c(NC3=CC(=O)C(OCC(F)F)=CC3=O)ncnc2cc1OCCCN1CCCC1 |c:16,t:7| Show InChI InChI=1S/C24H26F2N4O5/c1-33-21-9-15-16(11-22(21)34-8-4-7-30-5-2-3-6-30)27-14-28-24(15)29-17-10-19(32)20(12-18(17)31)35-13-23(25)26/h9-12,14,23H,2-8,13H2,1H3,(H,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP and in presence of 5% mouse plasma				J Med Chem 48: 7560-81 (2005) Article DOI: 10.1021/jm050559f BindingDB Entry DOI: 10.7270/Q2028R3S
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/RAF proto-oncogene serine/threonine-protein kinase (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 UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of ERK-phosphorylation by Raf-MEK-ERK in coupled ELISA				Bioorg Med Chem Lett 10: 2825-8 (2000) BindingDB Entry DOI: 10.7270/Q22N51J8
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50177850 (2-[3-(Ethylamino)phenoxy]-5-{[6-methoxy-7-(2-metho...) Show SMILES CCNc1cccc(OC2=CC(=O)C(Nc3ncnc4cc(OCCOC)c(OC)cc34)=CC2=O)c1 |c:33,t:9| Show InChI InChI=1S/C26H26N4O6/c1-4-27-16-6-5-7-17(10-16)36-23-14-21(31)20(12-22(23)32)30-26-18-11-24(34-3)25(35-9-8-33-2)13-19(18)28-15-29-26/h5-7,10-15,27H,4,8-9H2,1-3H3,(H,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP				J Med Chem 48: 7560-81 (2005) Article DOI: 10.1021/jm050559f BindingDB Entry DOI: 10.7270/Q2028R3S
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3032 (CHEMBL1204168 | CHEMBL29197 | N-(3-bromophenyl)-6,...) Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC Show InChI InChI=1S/C16H14BrN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human EGFR in presence of 1 uM ATP				Bioorg Med Chem 15: 3635-48 (2007) Article DOI: 10.1016/j.bmc.2007.03.055 BindingDB Entry DOI: 10.7270/Q2GF0VB8
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50002439 (CHEMBL2113174) Show SMILES COCCOc1cc2ncnc(NC3=CC(=O)C(Oc4ccccc4)=CC3=O)c2cc1OC |c:25,t:13| Show InChI InChI=1S/C24H21N3O6/c1-30-8-9-32-23-12-17-16(10-22(23)31-2)24(26-14-25-17)27-18-11-20(29)21(13-19(18)28)33-15-6-4-3-5-7-15/h3-7,10-14H,8-9H2,1-2H3,(H,25,26,27)	PDB MMDB NCI pathway 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	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP				J Med Chem 48: 7560-81 (2005) Article DOI: 10.1021/jm050559f BindingDB Entry DOI: 10.7270/Q2028R3S
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50274438 (4-({3-Chloro-4-[(1-methyl-1H-imidazol-2-yl)thio]ph...) Show SMILES CCN(CC)CC\C=C\c1cc2ncc(C#N)c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c2cc1OC Show InChI InChI=1S/C29H31ClN6OS/c1-5-36(6-2)13-8-7-9-20-15-25-23(17-26(20)37-4)28(21(18-31)19-33-25)34-22-10-11-27(24(30)16-22)38-29-32-12-14-35(29)3/h7,9-12,14-17,19H,5-6,8,13H2,1-4H3,(H,33,34)/b9-7+	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	3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MEK1 (unknown origin) by raf/MEK1/MAPK coupled assay				Bioorg Med Chem 16: 9202-11 (2008) Article DOI: 10.1016/j.bmc.2008.09.009 BindingDB Entry DOI: 10.7270/Q2DJ5FGD
					More data for this Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM50316344 (2-(5-{[(2R)-2-Aminopropyl]oxy}pyridin-3-yl)-8,9-di...) Show SMILES COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(OC[C@@H](C)N)c1 |r| Show InChI InChI=1S/C22H23N5O3/c1-12(23)11-30-14-4-13(8-25-9-14)18-5-15-16-6-20(28-2)21(29-3)7-19(16)26-10-17(15)22(24)27-18/h4-10,12H,11,23H2,1-3H3,(H2,24,27)/t12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human GST-tagged-PDK1 expressed in HEK293 cells				Eur J Med Chem 45: 1379-86 (2010) Article DOI: 10.1016/j.ejmech.2009.12.036 BindingDB Entry DOI: 10.7270/Q2HD7VT5
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50002445 (CHEMBL2113171) Show SMILES COCCOc1cc2ncnc(NC3=CC(=O)C(OC(CF)CF)=C(Cl)C3=O)c2cc1OC |t:13,23| Show InChI InChI=1S/C21H20ClF2N3O6/c1-30-3-4-32-17-7-13-12(5-16(17)31-2)21(26-10-25-13)27-14-6-15(28)20(18(22)19(14)29)33-11(8-23)9-24/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,25,26,27)	PDB MMDB NCI pathway 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	3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP and in presence of 5% mouse plasma				J Med Chem 48: 7560-81 (2005) Article DOI: 10.1021/jm050559f BindingDB Entry DOI: 10.7270/Q2028R3S
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50177834 (2-Methoxy-5-{[6-methoxy-7-(3-pyrrolidin-1-ylpropox...) Show SMILES COC1=CC(=O)C(Nc2ncnc3cc(OCCCN4CCCC4)c(OC)cc23)=CC1=O |c:31,t:2| Show InChI InChI=1S/C23H26N4O5/c1-30-20-13-18(28)17(11-19(20)29)26-23-15-10-21(31-2)22(12-16(15)24-14-25-23)32-9-5-8-27-6-3-4-7-27/h10-14H,3-9H2,1-2H3,(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory activity against VEGF stimulated autophosphorylation of VEGFR2 expressed in KDR15 cells				J Med Chem 48: 7560-81 (2005) Article DOI: 10.1021/jm050559f BindingDB Entry DOI: 10.7270/Q2028R3S
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM28118 (3-cyanoquinoline, 3 | 4-({3-chloro-4-[(1-methyl-1H...) Show SMILES CCN1CCN(CCCOc2cc3ncc(C#N)c(Nc4ccc(Sc5nccn5C)c(Cl)c4)c3cc2OC)CC1 Show InChI InChI=1S/C30H34ClN7O2S/c1-4-37-11-13-38(14-12-37)9-5-15-40-27-18-25-23(17-26(27)39-3)29(21(19-32)20-34-25)35-22-6-7-28(24(31)16-22)41-30-33-8-10-36(30)2/h6-8,10,16-18,20H,4-5,9,11-15H2,1-3H3,(H,34,35)	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	3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MEK1 (unknown origin) by raf/MEK1/MAPK coupled assay				Bioorg Med Chem 16: 9202-11 (2008) Article DOI: 10.1016/j.bmc.2008.09.009 BindingDB Entry DOI: 10.7270/Q2DJ5FGD
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50177834 (2-Methoxy-5-{[6-methoxy-7-(3-pyrrolidin-1-ylpropox...) Show SMILES COC1=CC(=O)C(Nc2ncnc3cc(OCCCN4CCCC4)c(OC)cc23)=CC1=O |c:31,t:2| Show InChI InChI=1S/C23H26N4O5/c1-30-20-13-18(28)17(11-19(20)29)26-23-15-10-21(31-2)22(12-16(15)24-14-25-23)32-9-5-8-27-6-3-4-7-27/h10-14H,3-9H2,1-2H3,(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory activity against VEGF stimulated autophosphorylation of VEGFR2 expressed in KDR15 cells				J Med Chem 48: 7560-81 (2005) Article DOI: 10.1021/jm050559f BindingDB Entry DOI: 10.7270/Q2028R3S
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM28118 (3-cyanoquinoline, 3 | 4-({3-chloro-4-[(1-methyl-1H...) Show SMILES CCN1CCN(CCCOc2cc3ncc(C#N)c(Nc4ccc(Sc5nccn5C)c(Cl)c4)c3cc2OC)CC1 Show InChI InChI=1S/C30H34ClN7O2S/c1-4-37-11-13-38(14-12-37)9-5-15-40-27-18-25-23(17-26(27)39-3)29(21(19-32)20-34-25)35-22-6-7-28(24(31)16-22)41-30-33-8-10-36(30)2/h6-8,10,16-18,20H,4-5,9,11-15H2,1-3H3,(H,34,35)	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	3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against Mitogen activated protein kinase kinase kinase 1 was determined using Raf/MEK1 coupled assay				Bioorg Med Chem Lett 13: 3031-4 (2003) BindingDB Entry DOI: 10.7270/Q2P84B8T
					More data for this Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM50316346 (2-(5-{[(2R)-2-Aminobutyl]oxy}pyridin-3-yl)-8,9-dim...) Show SMILES CC[C@@H](N)COc1cncc(c1)-c1cc2c(cnc3cc(OC)c(OC)cc23)c(N)n1 |r| Show InChI InChI=1S/C23H25N5O3/c1-4-14(24)12-31-15-5-13(9-26-10-15)19-6-16-17-7-21(29-2)22(30-3)8-20(17)27-11-18(16)23(25)28-19/h5-11,14H,4,12,24H2,1-3H3,(H2,25,28)/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human GST-tagged-PDK1 expressed in HEK293 cells				Eur J Med Chem 45: 1379-86 (2010) Article DOI: 10.1016/j.ejmech.2009.12.036 BindingDB Entry DOI: 10.7270/Q2HD7VT5
					More data for this Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM50316351 (2-(5-{[(2S)-2-Amino-3-(4-fluorophenyl)propyl]oxy}p...) Show SMILES COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(OC[C@@H](N)Cc2ccc(F)cc2)c1 |r| Show InChI InChI=1S/C28H26FN5O3/c1-35-26-10-22-21-9-24(34-28(31)23(21)14-33-25(22)11-27(26)36-2)17-8-20(13-32-12-17)37-15-19(30)7-16-3-5-18(29)6-4-16/h3-6,8-14,19H,7,15,30H2,1-2H3,(H2,31,34)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human GST-tagged-PDK1 expressed in HEK293 cells				Eur J Med Chem 45: 1379-86 (2010) Article DOI: 10.1016/j.ejmech.2009.12.036 BindingDB Entry DOI: 10.7270/Q2HD7VT5
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50002579 (CHEMBL2113164) Show SMILES COc1cc2c(NC3=CC(=O)C(OCC(F)F)=CC3=O)ncnc2cc1OCCCN1CCCC1 |c:16,t:7| Show InChI InChI=1S/C24H26F2N4O5/c1-33-21-9-15-16(11-22(21)34-8-4-7-30-5-2-3-6-30)27-14-28-24(15)29-17-10-19(32)20(12-18(17)31)35-13-23(25)26/h9-12,14,23H,2-8,13H2,1H3,(H,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP				J Med Chem 48: 7560-81 (2005) Article DOI: 10.1021/jm050559f BindingDB Entry DOI: 10.7270/Q2028R3S
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50177810 (2-{[6-Methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]a...) Show SMILES COCCOc1cc2ncnc(N=C3CC(=O)C(OCC#Cc4ccccc4)=CC3=O)c2cc1OC |w:12.11,c:28| Show InChI InChI=1S/C27H23N3O6/c1-33-11-12-36-26-15-20-19(13-25(26)34-2)27(29-17-28-20)30-21-14-23(32)24(16-22(21)31)35-10-6-9-18-7-4-3-5-8-18/h3-5,7-8,13,15-17H,10-12,14H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP				J Med Chem 48: 7560-81 (2005) Article DOI: 10.1021/jm050559f BindingDB Entry DOI: 10.7270/Q2028R3S
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50177830 (2-{[6-Methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazol...) Show SMILES COc1cc2c(N=C3CC(=O)C(OC(C#C)c4ccccc4)=CC3=O)ncnc2cc1OCCCN1CCCC1 |w:6.5,c:22| Show InChI InChI=1S/C31H30N4O5/c1-3-27(21-10-5-4-6-11-21)40-28-19-25(36)24(17-26(28)37)34-31-22-16-29(38-2)30(18-23(22)32-20-33-31)39-15-9-14-35-12-7-8-13-35/h1,4-6,10-11,16,18-20,27H,7-9,12-15,17H2,2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP				J Med Chem 48: 7560-81 (2005) Article DOI: 10.1021/jm050559f BindingDB Entry DOI: 10.7270/Q2028R3S
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50177803 (2-[2-Fluoro-1-(fluoromethyl)ethoxy]-5-({6-methoxy-...) Show SMILES COc1cc2c(N=C3CC(=O)C(OC(CF)CF)=CC3=O)ncnc2cc1OCC1CCN(C)CC1 |w:6.5,c:17| Show InChI InChI=1S/C25H28F2N4O5/c1-31-5-3-15(4-6-31)13-35-24-9-18-17(7-23(24)34-2)25(29-14-28-18)30-19-8-21(33)22(10-20(19)32)36-16(11-26)12-27/h7,9-10,14-16H,3-6,8,11-13H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP and in presence of 5% mouse plasma				J Med Chem 48: 7560-81 (2005) Article DOI: 10.1021/jm050559f BindingDB Entry DOI: 10.7270/Q2028R3S
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50002588 (CHEMBL2113183) Show SMILES COCCOc1cc2ncnc(NC3=CC(=O)C=C(OC)C3=O)c2cc1OC |t:13,17| Show InChI InChI=1S/C19H19N3O6/c1-25-4-5-28-16-9-13-12(8-15(16)26-2)19(21-10-20-13)22-14-6-11(23)7-17(27-3)18(14)24/h6-10H,4-5H2,1-3H3,(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP				J Med Chem 48: 7560-81 (2005) Article DOI: 10.1021/jm050559f BindingDB Entry DOI: 10.7270/Q2028R3S
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50002587 (CHEMBL2113184) Show SMILES COc1cc2c(NC3=CC(=O)C(OCCN(C)c4ccccc4)=CC3=O)ncnc2cc1OCC1CCN(C)CC1 |c:23,t:7| Show InChI InChI=1S/C31H35N5O5/c1-35-11-9-21(10-12-35)19-41-30-17-24-23(15-29(30)39-3)31(33-20-32-24)34-25-16-27(38)28(18-26(25)37)40-14-13-36(2)22-7-5-4-6-8-22/h4-8,15-18,20-21H,9-14,19H2,1-3H3,(H,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP				J Med Chem 48: 7560-81 (2005) Article DOI: 10.1021/jm050559f BindingDB Entry DOI: 10.7270/Q2028R3S
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50274439 (4-({3-Chloro-4-[(1-methyl-1H-imidazol-2-yl)thio]ph...) Show SMILES COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(cnc2cc1\C=C\CCN1CCN(C)CC1)C#N Show InChI InChI=1S/C30H32ClN7OS/c1-36-12-14-38(15-13-36)10-5-4-6-21-16-26-24(18-27(21)39-3)29(22(19-32)20-34-26)35-23-7-8-28(25(31)17-23)40-30-33-9-11-37(30)2/h4,6-9,11,16-18,20H,5,10,12-15H2,1-3H3,(H,34,35)/b6-4+	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	4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MEK1 (unknown origin) by raf/MEK1/MAPK coupled assay				Bioorg Med Chem 16: 9202-11 (2008) Article DOI: 10.1016/j.bmc.2008.09.009 BindingDB Entry DOI: 10.7270/Q2DJ5FGD
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM28119 (3-cyanoquinoline, 4 | 4-({3-chloro-4-[(1-methyl-1H...) Show SMILES COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(cnc2cc1OCCCN1CCCC1)C#N Show InChI InChI=1S/C28H29ClN6O2S/c1-34-12-8-31-28(34)38-26-7-6-20(14-22(26)29)33-27-19(17-30)18-32-23-16-25(24(36-2)15-21(23)27)37-13-5-11-35-9-3-4-10-35/h6-8,12,14-16,18H,3-5,9-11,13H2,1-2H3,(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	4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against Mitogen activated protein kinase kinase kinase 1 was determined using Raf/MEK1 coupled assay				Bioorg Med Chem Lett 13: 3031-4 (2003) BindingDB Entry DOI: 10.7270/Q2P84B8T
					More data for this Ligand-Target Pair
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	4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against Mitogen activated protein kinase kinase kinase 1 was determined using Raf/MEK1 coupled assay				Bioorg Med Chem Lett 13: 3031-4 (2003) BindingDB Entry DOI: 10.7270/Q2P84B8T
					More data for this Ligand-Target Pair

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