Compile Data Set for Download or QSAR

Found 57 hits Enz. Inhib. hit(s) with all data for entry = 2552   

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 kinase kinase 8 (Homo sapiens (Human))	BDBM21922 (8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-[(2H...) Show SMILES Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4nnn[nH]4)cc23)C#N)cc1Cl Show InChI InChI=1S/C18H11Cl2FN8/c19-13-4-10(1-2-15(13)21)25-17-9(6-22)7-24-18-12(17)3-11(5-14(18)20)23-8-16-26-28-29-27-16/h1-5,7,23H,8H2,(H,24,25)(H,26,27,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	7.2	30
Wyeth Research					Assay Description Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues was detected by an ELISA. IC50 calculati...				J Med Chem 50: 4728-45 (2007) Article DOI: 10.1021/jm070436q BindingDB Entry DOI: 10.7270/Q2891441
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM21899 (8-bromo-4-[(3-chloro-4-fluorophenyl)amino]-6-[(1H-...) Show SMILES Fc1ccc(Nc2c(cnc3c(Br)cc(NCc4cnc[nH]4)cc23)C#N)cc1Cl Show InChI InChI=1S/C20H13BrClFN6/c21-16-4-13(26-9-14-8-25-10-28-14)3-15-19(11(6-24)7-27-20(15)16)29-12-1-2-18(23)17(22)5-12/h1-5,7-8,10,26H,9H2,(H,25,28)(H,27,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	7.2	30
Wyeth Research					Assay Description Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues was detected by an ELISA. IC50 calculati...				J Med Chem 50: 4728-45 (2007) Article DOI: 10.1021/jm070436q BindingDB Entry DOI: 10.7270/Q2891441
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM21930 (8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-{[(4...) Show SMILES CCc1nc[nH]c1CNc1cc(Cl)c2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1 Show InChI InChI=1S/C22H17Cl2FN6/c1-2-19-20(30-11-29-19)10-27-14-5-15-21(31-13-3-4-18(25)16(23)6-13)12(8-26)9-28-22(15)17(24)7-14/h3-7,9,11,27H,2,10H2,1H3,(H,28,31)(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues was detected by an ELISA. IC50 calculati...				J Med Chem 50: 4728-45 (2007) Article DOI: 10.1021/jm070436q BindingDB Entry DOI: 10.7270/Q2891441
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM21928 (8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-({[4...) Show SMILES CC(C)c1nc[nH]c1CNc1cc(Cl)c2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1 Show InChI InChI=1S/C23H19Cl2FN6/c1-12(2)21-20(30-11-31-21)10-28-15-5-16-22(32-14-3-4-19(26)17(24)6-14)13(8-27)9-29-23(16)18(25)7-15/h3-7,9,11-12,28H,10H2,1-2H3,(H,29,32)(H,30,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues was detected by an ELISA. IC50 calculati...				J Med Chem 50: 4728-45 (2007) Article DOI: 10.1021/jm070436q BindingDB Entry DOI: 10.7270/Q2891441
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM21915 (8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-[(py...) Show SMILES Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4cccnc4)cc23)C#N)cc1Cl Show InChI InChI=1S/C22H14Cl2FN5/c23-18-7-15(3-4-20(18)25)30-21-14(9-26)12-29-22-17(21)6-16(8-19(22)24)28-11-13-2-1-5-27-10-13/h1-8,10,12,28H,11H2,(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	7.2	30
Wyeth Research					Assay Description Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues was detected by an ELISA. IC50 calculati...				J Med Chem 50: 4728-45 (2007) Article DOI: 10.1021/jm070436q BindingDB Entry DOI: 10.7270/Q2891441
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM21920 (2-[({8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-3...) Show SMILES [O-][n+]1ccccc1CNc1cc(Cl)c2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1 Show InChI InChI=1S/C22H14Cl2FN5O/c23-18-8-14(4-5-20(18)25)29-21-13(10-26)11-28-22-17(21)7-15(9-19(22)24)27-12-16-3-1-2-6-30(16)31/h1-9,11,27H,12H2,(H,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	7.2	30
Wyeth Research					Assay Description Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues was detected by an ELISA. IC50 calculati...				J Med Chem 50: 4728-45 (2007) Article DOI: 10.1021/jm070436q BindingDB Entry DOI: 10.7270/Q2891441
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM21925 (8-bromo-4-[(3-chloro-4-fluorophenyl)amino]-6-[(1H-...) Show SMILES Fc1ccc(Nc2c(cnc3c(Br)cc(NCc4cnn[nH]4)cc23)C#N)cc1Cl Show InChI InChI=1S/C19H12BrClFN7/c20-15-4-12(24-8-13-9-26-29-28-13)3-14-18(10(6-23)7-25-19(14)15)27-11-1-2-17(22)16(21)5-11/h1-5,7,9,24H,8H2,(H,25,27)(H,26,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	7.2	30
Wyeth Research					Assay Description Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues was detected by an ELISA. IC50 calculati...				J Med Chem 50: 4728-45 (2007) Article DOI: 10.1021/jm070436q BindingDB Entry DOI: 10.7270/Q2891441
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM21903 (4-[(3-chloro-4-fluorophenyl)amino]-6-[(1H-imidazol...) Show SMILES CS(=O)c1cc(NCc2cnc[nH]2)cc2c(Nc3ccc(F)c(Cl)c3)c(cnc12)C#N Show InChI InChI=1S/C21H16ClFN6OS/c1-31(30)19-6-14(26-10-15-9-25-11-28-15)4-16-20(12(7-24)8-27-21(16)19)29-13-2-3-18(23)17(22)5-13/h2-6,8-9,11,26H,10H2,1H3,(H,25,28)(H,27,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	7.2	30
Wyeth Research					Assay Description Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues was detected by an ELISA. IC50 calculati...				J Med Chem 50: 4728-45 (2007) Article DOI: 10.1021/jm070436q BindingDB Entry DOI: 10.7270/Q2891441
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM21898 (8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-[(1H...) Show SMILES Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4cnc[nH]4)cc23)C#N)cc1Cl Show InChI InChI=1S/C20H13Cl2FN6/c21-16-4-12(1-2-18(16)23)29-19-11(6-24)7-27-20-15(19)3-13(5-17(20)22)26-9-14-8-25-10-28-14/h1-5,7-8,10,26H,9H2,(H,25,28)(H,27,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	7.2	30
Wyeth Research					Assay Description Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues was detected by an ELISA. IC50 calculati...				J Med Chem 50: 4728-45 (2007) Article DOI: 10.1021/jm070436q BindingDB Entry DOI: 10.7270/Q2891441
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM21896 (4-[(3-chloro-4-fluorophenyl)amino]-6-[(1H-imidazol...) Show SMILES Fc1ccc(Nc2c(cnc3ccc(NCc4cnc[nH]4)cc23)C#N)cc1Cl Show InChI InChI=1S/C20H14ClFN6/c21-17-6-14(1-3-18(17)22)28-20-12(7-23)8-26-19-4-2-13(5-16(19)20)25-10-15-9-24-11-27-15/h1-6,8-9,11,25H,10H2,(H,24,27)(H,26,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	7.2	30
Wyeth Research					Assay Description Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues was detected by an ELISA. IC50 calculati...				J Med Chem 50: 4728-45 (2007) Article DOI: 10.1021/jm070436q BindingDB Entry DOI: 10.7270/Q2891441
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM21897 (4-[(3-chloro-4-fluorophenyl)amino]-8-fluoro-6-[(1H...) Show SMILES Fc1ccc(Nc2c(cnc3c(F)cc(NCc4cnc[nH]4)cc23)C#N)cc1Cl Show InChI InChI=1S/C20H13ClF2N6/c21-16-4-12(1-2-17(16)22)29-19-11(6-24)7-27-20-15(19)3-13(5-18(20)23)26-9-14-8-25-10-28-14/h1-5,7-8,10,26H,9H2,(H,25,28)(H,27,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	7.2	30
Wyeth Research					Assay Description Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues was detected by an ELISA. IC50 calculati...				J Med Chem 50: 4728-45 (2007) Article DOI: 10.1021/jm070436q BindingDB Entry DOI: 10.7270/Q2891441
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM21926 (8-bromo-4-[(3-chloro-4-fluorophenyl)amino]-6-[({1-...) Show SMILES CN(C)CCCn1cc(CNc2cc(Br)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)nn1 Show InChI InChI=1S/C24H23BrClFN8/c1-34(2)6-3-7-35-14-18(32-33-35)13-29-17-8-19-23(31-16-4-5-22(27)21(26)10-16)15(11-28)12-30-24(19)20(25)9-17/h4-5,8-10,12,14,29H,3,6-7,13H2,1-2H3,(H,30,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues was detected by an ELISA. IC50 calculati...				J Med Chem 50: 4728-45 (2007) Article DOI: 10.1021/jm070436q BindingDB Entry DOI: 10.7270/Q2891441
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM21906 (4-[(3-chloro-4-fluorophenyl)amino]-8-acetyl-6-[(1H...) Show SMILES CC(=O)c1cc(NCc2cnc[nH]2)cc2c(Nc3ccc(F)c(Cl)c3)c(cnc12)C#N Show InChI InChI=1S/C22H16ClFN6O/c1-12(31)17-4-15(27-10-16-9-26-11-29-16)5-18-21(13(7-25)8-28-22(17)18)30-14-2-3-20(24)19(23)6-14/h2-6,8-9,11,27H,10H2,1H3,(H,26,29)(H,28,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	7.2	30
Wyeth Research					Assay Description Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues was detected by an ELISA. IC50 calculati...				J Med Chem 50: 4728-45 (2007) Article DOI: 10.1021/jm070436q BindingDB Entry DOI: 10.7270/Q2891441
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM21929 (8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-{[(4...) Show SMILES CCCc1nc[nH]c1CNc1cc(Cl)c2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1 Show InChI InChI=1S/C23H19Cl2FN6/c1-2-3-20-21(31-12-30-20)11-28-15-6-16-22(32-14-4-5-19(26)17(24)7-14)13(9-27)10-29-23(16)18(25)8-15/h4-8,10,12,28H,2-3,11H2,1H3,(H,29,32)(H,30,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues was detected by an ELISA. IC50 calculati...				J Med Chem 50: 4728-45 (2007) Article DOI: 10.1021/jm070436q BindingDB Entry DOI: 10.7270/Q2891441
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM21933 (8-bromo-4-[(3-chloro-4-fluorophenyl)amino]-6-{[(1-...) Show SMILES Cn1cnc(CNc2cc(Br)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)c1 Show InChI InChI=1S/C21H15BrClFN6/c1-30-10-15(28-11-30)9-26-14-4-16-20(29-13-2-3-19(24)18(23)6-13)12(7-25)8-27-21(16)17(22)5-14/h2-6,8,10-11,26H,9H2,1H3,(H,27,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues was detected by an ELISA. IC50 calculati...				J Med Chem 50: 4728-45 (2007) Article DOI: 10.1021/jm070436q BindingDB Entry DOI: 10.7270/Q2891441
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM21896 (4-[(3-chloro-4-fluorophenyl)amino]-6-[(1H-imidazol...) Show SMILES Fc1ccc(Nc2c(cnc3ccc(NCc4cnc[nH]4)cc23)C#N)cc1Cl Show InChI InChI=1S/C20H14ClFN6/c21-17-6-14(1-3-18(17)22)28-20-12(7-23)8-26-19-4-2-13(5-16(19)20)25-10-15-9-24-11-27-15/h1-6,8-9,11,25H,10H2,(H,24,27)(H,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description EGFR kinase activity was assayed using poly(Glu4-Tyr) as a substrate. The phosphorylation of tyrosine residue was detected by an ELISA. IC50 calculat...				J Med Chem 50: 4728-45 (2007) Article DOI: 10.1021/jm070436q BindingDB Entry DOI: 10.7270/Q2891441
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM21938 (8-bromo-4-[(3-chloro-4-fluorophenyl)amino]-6-[({1-...) Show SMILES Fc1ccc(Nc2c(cnc3c(Br)cc(NCc4cn(CCN5CCOCC5)cn4)cc23)C#N)cc1Cl Show InChI InChI=1S/C26H24BrClFN7O/c27-22-10-19(31-14-20-15-36(16-33-20)4-3-35-5-7-37-8-6-35)9-21-25(17(12-30)13-32-26(21)22)34-18-1-2-24(29)23(28)11-18/h1-2,9-11,13,15-16,31H,3-8,14H2,(H,32,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues was detected by an ELISA. IC50 calculati...				J Med Chem 50: 4728-45 (2007) Article DOI: 10.1021/jm070436q BindingDB Entry DOI: 10.7270/Q2891441
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM21939 (8-bromo-4-[(3-chloro-4-fluorophenyl)amino]-6-({[1-...) Show SMILES CS(=O)(=O)CCn1cnc(CNc2cc(Br)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)c1 Show InChI InChI=1S/C23H19BrClFN6O2S/c1-35(33,34)5-4-32-12-17(30-13-32)11-28-16-6-18-22(31-15-2-3-21(26)20(25)8-15)14(9-27)10-29-23(18)19(24)7-16/h2-3,6-8,10,12-13,28H,4-5,11H2,1H3,(H,29,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues was detected by an ELISA. IC50 calculati...				J Med Chem 50: 4728-45 (2007) Article DOI: 10.1021/jm070436q BindingDB Entry DOI: 10.7270/Q2891441
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM21931 (Cyanoquinoline, 42 | methyl 5-[({8-bromo-4-[(3-chl...) Show SMILES COC(=O)c1nc[nH]c1CNc1cc(Br)c2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1 Show InChI InChI=1S/C22H15BrClFN6O2/c1-33-22(32)21-18(29-10-30-21)9-27-13-4-14-19(31-12-2-3-17(25)16(24)6-12)11(7-26)8-28-20(14)15(23)5-13/h2-6,8,10,27H,9H2,1H3,(H,28,31)(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues was detected by an ELISA. IC50 calculati...				J Med Chem 50: 4728-45 (2007) Article DOI: 10.1021/jm070436q BindingDB Entry DOI: 10.7270/Q2891441
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM21912 (8-bromo-4-[(3-chloro-4-fluorophenyl)amino]-6-{[(1-...) Show SMILES Cn1nccc1CNc1cc(Br)c2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1 Show InChI InChI=1S/C21H15BrClFN6/c1-30-15(4-5-28-30)11-26-14-6-16-20(29-13-2-3-19(24)18(23)8-13)12(9-25)10-27-21(16)17(22)7-14/h2-8,10,26H,11H2,1H3,(H,27,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	7.2	30
Wyeth Research					Assay Description Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues was detected by an ELISA. IC50 calculati...				J Med Chem 50: 4728-45 (2007) Article DOI: 10.1021/jm070436q BindingDB Entry DOI: 10.7270/Q2891441
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM21924 (2-({8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-3-...) Show SMILES Fc1ccc(Nc2c(cnc3c(Cl)cc(NCC(=O)Nc4cccnc4)cc23)C#N)cc1Cl Show InChI InChI=1S/C23H15Cl2FN6O/c24-18-7-14(3-4-20(18)26)32-22-13(9-27)10-30-23-17(22)6-16(8-19(23)25)29-12-21(33)31-15-2-1-5-28-11-15/h1-8,10-11,29H,12H2,(H,30,32)(H,31,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	7.2	30
Wyeth Research					Assay Description Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues was detected by an ELISA. IC50 calculati...				J Med Chem 50: 4728-45 (2007) Article DOI: 10.1021/jm070436q BindingDB Entry DOI: 10.7270/Q2891441
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM21905 (4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-6-[(1H-...) Show SMILES CN(C)C(=O)c1cc(NCc2cnc[nH]2)cc2c(Nc3ccc(F)c(Cl)c3)c(cnc12)C#N Show InChI InChI=1S/C23H19ClFN7O/c1-32(2)23(33)18-6-15(28-11-16-10-27-12-30-16)5-17-21(13(8-26)9-29-22(17)18)31-14-3-4-20(25)19(24)7-14/h3-7,9-10,12,28H,11H2,1-2H3,(H,27,30)(H,29,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	7.2	30
Wyeth Research					Assay Description Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues was detected by an ELISA. IC50 calculati...				J Med Chem 50: 4728-45 (2007) Article DOI: 10.1021/jm070436q BindingDB Entry DOI: 10.7270/Q2891441
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM21932 (8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-[({4...) Show SMILES CN(C)CCCc1nc[nH]c1CNc1cc(Cl)c2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1 Show InChI InChI=1S/C25H24Cl2FN7/c1-35(2)7-3-4-22-23(33-14-32-22)13-30-17-8-18-24(34-16-5-6-21(28)19(26)9-16)15(11-29)12-31-25(18)20(27)10-17/h5-6,8-10,12,14,30H,3-4,7,13H2,1-2H3,(H,31,34)(H,32,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues was detected by an ELISA. IC50 calculati...				J Med Chem 50: 4728-45 (2007) Article DOI: 10.1021/jm070436q BindingDB Entry DOI: 10.7270/Q2891441
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM21902 (4-[(3-chloro-4-fluorophenyl)amino]-6-[(1H-imidazol...) Show SMILES COc1cc(NCc2cnc[nH]2)cc2c(Nc3ccc(F)c(Cl)c3)c(cnc12)C#N Show InChI InChI=1S/C21H16ClFN6O/c1-30-19-6-14(26-10-15-9-25-11-28-15)4-16-20(12(7-24)8-27-21(16)19)29-13-2-3-18(23)17(22)5-13/h2-6,8-9,11,26H,10H2,1H3,(H,25,28)(H,27,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	7.2	30
Wyeth Research					Assay Description Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues was detected by an ELISA. IC50 calculati...				J Med Chem 50: 4728-45 (2007) Article DOI: 10.1021/jm070436q BindingDB Entry DOI: 10.7270/Q2891441
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM21909 (8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-{[2-...) Show SMILES Fc1ccc(Nc2c(cnc3c(Cl)cc(NCCc4cnc[nH]4)cc23)C#N)cc1Cl Show InChI InChI=1S/C21H15Cl2FN6/c22-17-6-13(1-2-19(17)24)30-20-12(8-25)9-28-21-16(20)5-15(7-18(21)23)27-4-3-14-10-26-11-29-14/h1-2,5-7,9-11,27H,3-4H2,(H,26,29)(H,28,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	7.2	30
Wyeth Research					Assay Description Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues was detected by an ELISA. IC50 calculati...				J Med Chem 50: 4728-45 (2007) Article DOI: 10.1021/jm070436q BindingDB Entry DOI: 10.7270/Q2891441
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM21927 (8-bromo-4-[(3-chloro-4-fluorophenyl)amino]-6-({[4-...) Show SMILES CC(C)c1nc[nH]c1CNc1cc(Br)c2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1 Show InChI InChI=1S/C23H19BrClFN6/c1-12(2)21-20(30-11-31-21)10-28-15-5-16-22(32-14-3-4-19(26)18(25)7-14)13(8-27)9-29-23(16)17(24)6-15/h3-7,9,11-12,28H,10H2,1-2H3,(H,29,32)(H,30,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues was detected by an ELISA. IC50 calculati...				J Med Chem 50: 4728-45 (2007) Article DOI: 10.1021/jm070436q BindingDB Entry DOI: 10.7270/Q2891441
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM21906 (4-[(3-chloro-4-fluorophenyl)amino]-8-acetyl-6-[(1H...) Show SMILES CC(=O)c1cc(NCc2cnc[nH]2)cc2c(Nc3ccc(F)c(Cl)c3)c(cnc12)C#N Show InChI InChI=1S/C22H16ClFN6O/c1-12(31)17-4-15(27-10-16-9-26-11-29-16)5-18-21(13(7-25)8-28-22(17)18)30-14-2-3-20(24)19(23)6-14/h2-6,8-9,11,27H,10H2,1H3,(H,26,29)(H,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	156	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description EGFR kinase activity was assayed using poly(Glu4-Tyr) as a substrate. The phosphorylation of tyrosine residue was detected by an ELISA. IC50 calculat...				J Med Chem 50: 4728-45 (2007) Article DOI: 10.1021/jm070436q BindingDB Entry DOI: 10.7270/Q2891441
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM21900 (4-[(3-chloro-4-fluorophenyl)amino]-6-[(1H-imidazol...) Show SMILES Fc1ccc(Nc2c(cnc3c(cc(NCc4cnc[nH]4)cc23)C(F)(F)F)C#N)cc1Cl Show InChI InChI=1S/C21H13ClF4N6/c22-17-5-12(1-2-18(17)23)32-19-11(6-27)7-30-20-15(19)3-13(4-16(20)21(24,25)26)29-9-14-8-28-10-31-14/h1-5,7-8,10,29H,9H2,(H,28,31)(H,30,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	7.2	30
Wyeth Research					Assay Description Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues was detected by an ELISA. IC50 calculati...				J Med Chem 50: 4728-45 (2007) Article DOI: 10.1021/jm070436q BindingDB Entry DOI: 10.7270/Q2891441
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM21918 (8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-{[(6...) Show SMILES Cc1cccc(CNc2cc(Cl)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)n1 Show InChI InChI=1S/C23H16Cl2FN5/c1-13-3-2-4-16(30-13)12-28-17-7-18-22(31-15-5-6-21(26)19(24)8-15)14(10-27)11-29-23(18)20(25)9-17/h2-9,11,28H,12H2,1H3,(H,29,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	7.2	30
Wyeth Research					Assay Description Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues was detected by an ELISA. IC50 calculati...				J Med Chem 50: 4728-45 (2007) Article DOI: 10.1021/jm070436q BindingDB Entry DOI: 10.7270/Q2891441
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM21904 (4-[(3-chloro-4-fluorophenyl)amino]-6-[(1H-imidazol...) Show SMILES CS(=O)(=O)c1cc(NCc2cnc[nH]2)cc2c(Nc3ccc(F)c(Cl)c3)c(cnc12)C#N Show InChI InChI=1S/C21H16ClFN6O2S/c1-32(30,31)19-6-14(26-10-15-9-25-11-28-15)4-16-20(12(7-24)8-27-21(16)19)29-13-2-3-18(23)17(22)5-13/h2-6,8-9,11,26H,10H2,1H3,(H,25,28)(H,27,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	7.2	30
Wyeth Research					Assay Description Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues was detected by an ELISA. IC50 calculati...				J Med Chem 50: 4728-45 (2007) Article DOI: 10.1021/jm070436q BindingDB Entry DOI: 10.7270/Q2891441
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM21923 (2-({8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-3-...) Show SMILES OC(=O)CNc1cc(Cl)c2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1 Show InChI InChI=1S/C18H11Cl2FN4O2/c19-13-4-10(1-2-15(13)21)25-17-9(6-22)7-24-18-12(17)3-11(5-14(18)20)23-8-16(26)27/h1-5,7,23H,8H2,(H,24,25)(H,26,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	7.2	30
Wyeth Research					Assay Description Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues was detected by an ELISA. IC50 calculati...				J Med Chem 50: 4728-45 (2007) Article DOI: 10.1021/jm070436q BindingDB Entry DOI: 10.7270/Q2891441
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM21935 (8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-{[(2...) Show SMILES Cc1nc(C)c(CNc2cc(Cl)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)[nH]1 Show InChI InChI=1S/C22H17Cl2FN6/c1-11-20(30-12(2)29-11)10-27-15-5-16-21(31-14-3-4-19(25)17(23)6-14)13(8-26)9-28-22(16)18(24)7-15/h3-7,9,27H,10H2,1-2H3,(H,28,31)(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues was detected by an ELISA. IC50 calculati...				J Med Chem 50: 4728-45 (2007) Article DOI: 10.1021/jm070436q BindingDB Entry DOI: 10.7270/Q2891441
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM21936 (8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-{[(1...) Show SMILES Cn1cncc1CNc1cc(Cl)c2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1 Show InChI InChI=1S/C21H15Cl2FN6/c1-30-11-26-9-15(30)10-27-14-4-16-20(29-13-2-3-19(24)17(22)5-13)12(7-25)8-28-21(16)18(23)6-14/h2-6,8-9,11,27H,10H2,1H3,(H,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues was detected by an ELISA. IC50 calculati...				J Med Chem 50: 4728-45 (2007) Article DOI: 10.1021/jm070436q BindingDB Entry DOI: 10.7270/Q2891441
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM21913 (8-bromo-4-[(3-chloro-4-fluorophenyl)amino]-6-{[(1-...) Show SMILES Fc1ccc(Nc2c(cnc3c(Br)cc(NCc4ccnn4-c4ccccc4)cc23)C#N)cc1Cl Show InChI InChI=1S/C26H17BrClFN6/c27-22-11-18(31-15-20-8-9-33-35(20)19-4-2-1-3-5-19)10-21-25(16(13-30)14-32-26(21)22)34-17-6-7-24(29)23(28)12-17/h1-12,14,31H,15H2,(H,32,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	7.2	30
Wyeth Research					Assay Description Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues was detected by an ELISA. IC50 calculati...				J Med Chem 50: 4728-45 (2007) Article DOI: 10.1021/jm070436q BindingDB Entry DOI: 10.7270/Q2891441
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM21914 (8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-({im...) Show SMILES Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4cnc5ccccn45)cc23)C#N)cc1Cl Show InChI InChI=1S/C24H15Cl2FN6/c25-19-8-15(4-5-21(19)27)32-23-14(10-28)11-31-24-18(23)7-16(9-20(24)26)29-12-17-13-30-22-3-1-2-6-33(17)22/h1-9,11,13,29H,12H2,(H,31,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	7.2	30
Wyeth Research					Assay Description Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues was detected by an ELISA. IC50 calculati...				J Med Chem 50: 4728-45 (2007) Article DOI: 10.1021/jm070436q BindingDB Entry DOI: 10.7270/Q2891441
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM21911 (8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-{[(1...) Show SMILES Cn1cc(CNc2cc(Cl)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)cn1 Show InChI InChI=1S/C21H15Cl2FN6/c1-30-11-12(9-28-30)8-26-15-4-16-20(29-14-2-3-19(24)17(22)5-14)13(7-25)10-27-21(16)18(23)6-15/h2-6,9-11,26H,8H2,1H3,(H,27,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	7.2	30
Wyeth Research					Assay Description Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues was detected by an ELISA. IC50 calculati...				J Med Chem 50: 4728-45 (2007) Article DOI: 10.1021/jm070436q BindingDB Entry DOI: 10.7270/Q2891441
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM21934 (8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-{[(2...) Show SMILES CCc1nc(C)c(CNc2cc(Cl)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)[nH]1 Show InChI InChI=1S/C23H19Cl2FN6/c1-3-21-30-12(2)20(32-21)11-28-15-6-16-22(31-14-4-5-19(26)17(24)7-14)13(9-27)10-29-23(16)18(25)8-15/h4-8,10,28H,3,11H2,1-2H3,(H,29,31)(H,30,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues was detected by an ELISA. IC50 calculati...				J Med Chem 50: 4728-45 (2007) Article DOI: 10.1021/jm070436q BindingDB Entry DOI: 10.7270/Q2891441
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM21919 (8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-({[6...) Show SMILES Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4cccc(n4)N4CCOCC4)cc23)C#N)cc1Cl Show InChI InChI=1S/C26H21Cl2FN6O/c27-21-11-17(4-5-23(21)29)34-25-16(13-30)14-32-26-20(25)10-19(12-22(26)28)31-15-18-2-1-3-24(33-18)35-6-8-36-9-7-35/h1-5,10-12,14,31H,6-9,15H2,(H,32,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	7.2	30
Wyeth Research					Assay Description Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues was detected by an ELISA. IC50 calculati...				J Med Chem 50: 4728-45 (2007) Article DOI: 10.1021/jm070436q BindingDB Entry DOI: 10.7270/Q2891441
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM21917 (8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-[({5...) Show SMILES CC(C)N1CCC(O)(CC1)c1cncc(CNc2cc(Cl)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)c1 Show InChI InChI=1S/C30H29Cl2FN6O/c1-18(2)39-7-5-30(40,6-8-39)21-9-19(14-35-17-21)15-36-23-10-24-28(38-22-3-4-27(33)25(31)11-22)20(13-34)16-37-29(24)26(32)12-23/h3-4,9-12,14,16-18,36,40H,5-8,15H2,1-2H3,(H,37,38)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	7.2	30
Wyeth Research					Assay Description Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues was detected by an ELISA. IC50 calculati...				J Med Chem 50: 4728-45 (2007) Article DOI: 10.1021/jm070436q BindingDB Entry DOI: 10.7270/Q2891441
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM21897 (4-[(3-chloro-4-fluorophenyl)amino]-8-fluoro-6-[(1H...) Show SMILES Fc1ccc(Nc2c(cnc3c(F)cc(NCc4cnc[nH]4)cc23)C#N)cc1Cl Show InChI InChI=1S/C20H13ClF2N6/c21-16-4-12(1-2-17(16)22)29-19-11(6-24)7-27-20-15(19)3-13(5-18(20)23)26-9-14-8-25-10-28-14/h1-5,7-8,10,26H,9H2,(H,25,28)(H,27,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Wyeth Research					Assay Description EGFR kinase activity was assayed using poly(Glu4-Tyr) as a substrate. The phosphorylation of tyrosine residue was detected by an ELISA. IC50 calculat...				J Med Chem 50: 4728-45 (2007) Article DOI: 10.1021/jm070436q BindingDB Entry DOI: 10.7270/Q2891441
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM21921 (8-bromo-4-[(3-chloro-4-fluorophenyl)amino]-6-[(2,3...) Show SMILES OCC(O)CNc1cc(Br)c2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1 Show InChI InChI=1S/C19H15BrClFN4O2/c20-15-4-12(24-8-13(28)9-27)3-14-18(10(6-23)7-25-19(14)15)26-11-1-2-17(22)16(21)5-11/h1-5,7,13,24,27-28H,8-9H2,(H,25,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	7.2	30
Wyeth Research					Assay Description Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues was detected by an ELISA. IC50 calculati...				J Med Chem 50: 4728-45 (2007) Article DOI: 10.1021/jm070436q BindingDB Entry DOI: 10.7270/Q2891441
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM21908 (4-[(3-chloro-4-fluorophenyl)amino]-8-(2,3-dihydrox...) Show SMILES OCC(O)COc1cc(NCc2cnc[nH]2)cc2c(Nc3ccc(F)c(Cl)c3)c(cnc12)C#N Show InChI InChI=1S/C23H20ClFN6O3/c24-19-4-14(1-2-20(19)25)31-22-13(6-26)7-29-23-18(22)3-15(28-9-16-8-27-12-30-16)5-21(23)34-11-17(33)10-32/h1-5,7-8,12,17,28,32-33H,9-11H2,(H,27,30)(H,29,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	7.2	30
Wyeth Research					Assay Description Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues was detected by an ELISA. IC50 calculati...				J Med Chem 50: 4728-45 (2007) Article DOI: 10.1021/jm070436q BindingDB Entry DOI: 10.7270/Q2891441
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM21907 (4-[(3-chloro-4-fluorophenyl)amino]-8-(2,3-dihydrox...) Show SMILES OCC(O)Cc1cc(NCc2cnc[nH]2)cc2c(Nc3ccc(F)c(Cl)c3)c(cnc12)C#N Show InChI InChI=1S/C23H20ClFN6O2/c24-20-6-15(1-2-21(20)25)31-23-14(7-26)8-29-22-13(4-18(33)11-32)3-16(5-19(22)23)28-10-17-9-27-12-30-17/h1-3,5-6,8-9,12,18,28,32-33H,4,10-11H2,(H,27,30)(H,29,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	910	n/a	n/a	n/a	n/a	7.2	30
Wyeth Research					Assay Description Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues was detected by an ELISA. IC50 calculati...				J Med Chem 50: 4728-45 (2007) Article DOI: 10.1021/jm070436q BindingDB Entry DOI: 10.7270/Q2891441
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM21898 (8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-[(1H...) Show SMILES Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4cnc[nH]4)cc23)C#N)cc1Cl Show InChI InChI=1S/C20H13Cl2FN6/c21-16-4-12(1-2-18(16)23)29-19-11(6-24)7-27-20-15(19)3-13(5-17(20)22)26-9-14-8-25-10-28-14/h1-5,7-8,10,26H,9H2,(H,25,28)(H,27,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description EGFR kinase activity was assayed using poly(Glu4-Tyr) as a substrate. The phosphorylation of tyrosine residue was detected by an ELISA. IC50 calculat...				J Med Chem 50: 4728-45 (2007) Article DOI: 10.1021/jm070436q BindingDB Entry DOI: 10.7270/Q2891441
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM21902 (4-[(3-chloro-4-fluorophenyl)amino]-6-[(1H-imidazol...) Show SMILES COc1cc(NCc2cnc[nH]2)cc2c(Nc3ccc(F)c(Cl)c3)c(cnc12)C#N Show InChI InChI=1S/C21H16ClFN6O/c1-30-19-6-14(26-10-15-9-25-11-28-15)4-16-20(12(7-24)8-27-21(16)19)29-13-2-3-18(23)17(22)5-13/h2-6,8-9,11,26H,10H2,1H3,(H,25,28)(H,27,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description EGFR kinase activity was assayed using poly(Glu4-Tyr) as a substrate. The phosphorylation of tyrosine residue was detected by an ELISA. IC50 calculat...				J Med Chem 50: 4728-45 (2007) Article DOI: 10.1021/jm070436q BindingDB Entry DOI: 10.7270/Q2891441
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM21920 (2-[({8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-3...) Show SMILES [O-][n+]1ccccc1CNc1cc(Cl)c2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1 Show InChI InChI=1S/C22H14Cl2FN5O/c23-18-8-14(4-5-20(18)25)29-21-13(10-26)11-28-22-17(21)7-15(9-19(22)24)27-12-16-3-1-2-6-30(16)31/h1-9,11,27H,12H2,(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description EGFR kinase activity was assayed using poly(Glu4-Tyr) as a substrate. The phosphorylation of tyrosine residue was detected by an ELISA. IC50 calculat...				J Med Chem 50: 4728-45 (2007) Article DOI: 10.1021/jm070436q BindingDB Entry DOI: 10.7270/Q2891441
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM21916 (8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-({[5...) Show SMILES OC(c1cncc(CNc2cc(Cl)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)c1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C25H14Cl2F7N5O/c26-18-5-15(1-2-20(18)28)39-21-13(7-35)10-38-22-17(21)4-16(6-19(22)27)37-9-12-3-14(11-36-8-12)23(40,24(29,30)31)25(32,33)34/h1-6,8,10-11,37,40H,9H2,(H,38,39)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	7.2	30
Wyeth Research					Assay Description Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues was detected by an ELISA. IC50 calculati...				J Med Chem 50: 4728-45 (2007) Article DOI: 10.1021/jm070436q BindingDB Entry DOI: 10.7270/Q2891441
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM21899 (8-bromo-4-[(3-chloro-4-fluorophenyl)amino]-6-[(1H-...) Show SMILES Fc1ccc(Nc2c(cnc3c(Br)cc(NCc4cnc[nH]4)cc23)C#N)cc1Cl Show InChI InChI=1S/C20H13BrClFN6/c21-16-4-13(26-9-14-8-25-10-28-14)3-15-19(11(6-24)7-27-20(15)16)29-12-1-2-18(23)17(22)5-12/h1-5,7-8,10,26H,9H2,(H,25,28)(H,27,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description EGFR kinase activity was assayed using poly(Glu4-Tyr) as a substrate. The phosphorylation of tyrosine residue was detected by an ELISA. IC50 calculat...				J Med Chem 50: 4728-45 (2007) Article DOI: 10.1021/jm070436q BindingDB Entry DOI: 10.7270/Q2891441
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM21925 (8-bromo-4-[(3-chloro-4-fluorophenyl)amino]-6-[(1H-...) Show SMILES Fc1ccc(Nc2c(cnc3c(Br)cc(NCc4cnn[nH]4)cc23)C#N)cc1Cl Show InChI InChI=1S/C19H12BrClFN7/c20-15-4-12(24-8-13-9-26-29-28-13)3-14-18(10(6-23)7-25-19(14)15)27-11-1-2-17(22)16(21)5-11/h1-5,7,9,24H,8H2,(H,25,27)(H,26,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Wyeth Research					Assay Description EGFR kinase activity was assayed using poly(Glu4-Tyr) as a substrate. The phosphorylation of tyrosine residue was detected by an ELISA. IC50 calculat...				J Med Chem 50: 4728-45 (2007) Article DOI: 10.1021/jm070436q BindingDB Entry DOI: 10.7270/Q2891441
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM21903 (4-[(3-chloro-4-fluorophenyl)amino]-6-[(1H-imidazol...) Show SMILES CS(=O)c1cc(NCc2cnc[nH]2)cc2c(Nc3ccc(F)c(Cl)c3)c(cnc12)C#N Show InChI InChI=1S/C21H16ClFN6OS/c1-31(30)19-6-14(26-10-15-9-25-11-28-15)4-16-20(12(7-24)8-27-21(16)19)29-13-2-3-18(23)17(22)5-13/h2-6,8-9,11,26H,10H2,1H3,(H,25,28)(H,27,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Wyeth Research					Assay Description EGFR kinase activity was assayed using poly(Glu4-Tyr) as a substrate. The phosphorylation of tyrosine residue was detected by an ELISA. IC50 calculat...				J Med Chem 50: 4728-45 (2007) Article DOI: 10.1021/jm070436q BindingDB Entry DOI: 10.7270/Q2891441
					More data for this Ligand-Target Pair

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