Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Dual specificity mitogen-activated protein kinase kinase 1' and Ligand = 'BDBM50365219'   

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))	BDBM50365219 (CHEMBL1956073) Show SMILES C[C@H]([C@@H](C(=O)Nc1ccc(I)cc1F)n1c(O)c([nH]c1=O)-c1ccc(OC[C@H](O)CO)cc1)c1ccccc1 |r| Show InChI InChI=1S/C28H27FIN3O6/c1-16(17-5-3-2-4-6-17)25(26(36)31-23-12-9-19(30)13-22(23)29)33-27(37)24(32-28(33)38)18-7-10-21(11-8-18)39-15-20(35)14-34/h2-13,16,20,25,34-35,37H,14-15H2,1H3,(H,31,36)(H,32,38)/t16-,20+,25-/m0/s1	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	12	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche, Inc. Curated by ChEMBL					Assay Description Inhibition of MEK1 in human HT-29 cells assessed as inhibition of ERK phosphorylation by Western blot analysis				Mol Cancer Ther 9: 134-44 (2010) Article DOI: 10.1158/1535-7163.MCT-09-0601 BindingDB Entry DOI: 10.7270/Q2930TNW
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50365219 (CHEMBL1956073) Show SMILES C[C@H]([C@@H](C(=O)Nc1ccc(I)cc1F)n1c(O)c([nH]c1=O)-c1ccc(OC[C@H](O)CO)cc1)c1ccccc1 |r| Show InChI InChI=1S/C28H27FIN3O6/c1-16(17-5-3-2-4-6-17)25(26(36)31-23-12-9-19(30)13-22(23)29)33-27(37)24(32-28(33)38)18-7-10-21(11-8-18)39-15-20(35)14-34/h2-13,16,20,25,34-35,37H,14-15H2,1H3,(H,31,36)(H,32,38)/t16-,20+,25-/m0/s1	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	22	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche, Inc. Curated by ChEMBL					Assay Description Inhibition of MEK1 in human LOX cells assessed as inhibition of ERK phosphorylation by Western blot analysis				Mol Cancer Ther 9: 134-44 (2010) Article DOI: 10.1158/1535-7163.MCT-09-0601 BindingDB Entry DOI: 10.7270/Q2930TNW
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50365219 (CHEMBL1956073) Show SMILES C[C@H]([C@@H](C(=O)Nc1ccc(I)cc1F)n1c(O)c([nH]c1=O)-c1ccc(OC[C@H](O)CO)cc1)c1ccccc1 |r| Show InChI InChI=1S/C28H27FIN3O6/c1-16(17-5-3-2-4-6-17)25(26(36)31-23-12-9-19(30)13-22(23)29)33-27(37)24(32-28(33)38)18-7-10-21(11-8-18)39-15-20(35)14-34/h2-13,16,20,25,34-35,37H,14-15H2,1H3,(H,31,36)(H,32,38)/t16-,20+,25-/m0/s1	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	25	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche, Inc. Curated by ChEMBL					Assay Description Inhibition of MEK1				Mol Cancer Ther 9: 134-44 (2010) Article DOI: 10.1158/1535-7163.MCT-09-0601 BindingDB Entry DOI: 10.7270/Q2930TNW
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50365219 (CHEMBL1956073) Show SMILES C[C@H]([C@@H](C(=O)Nc1ccc(I)cc1F)n1c(O)c([nH]c1=O)-c1ccc(OC[C@H](O)CO)cc1)c1ccccc1 |r| Show InChI InChI=1S/C28H27FIN3O6/c1-16(17-5-3-2-4-6-17)25(26(36)31-23-12-9-19(30)13-22(23)29)33-27(37)24(32-28(33)38)18-7-10-21(11-8-18)39-15-20(35)14-34/h2-13,16,20,25,34-35,37H,14-15H2,1H3,(H,31,36)(H,32,38)/t16-,20+,25-/m0/s1	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	69	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche, Inc. Curated by ChEMBL					Assay Description Inhibition of MEK1 in human MIA PaCa-2 cells assessed as inhibition of ERK phosphorylation by Western blot analysis				Mol Cancer Ther 9: 134-44 (2010) Article DOI: 10.1158/1535-7163.MCT-09-0601 BindingDB Entry DOI: 10.7270/Q2930TNW
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50365219 (CHEMBL1956073) Show SMILES C[C@H]([C@@H](C(=O)Nc1ccc(I)cc1F)n1c(O)c([nH]c1=O)-c1ccc(OC[C@H](O)CO)cc1)c1ccccc1 |r| Show InChI InChI=1S/C28H27FIN3O6/c1-16(17-5-3-2-4-6-17)25(26(36)31-23-12-9-19(30)13-22(23)29)33-27(37)24(32-28(33)38)18-7-10-21(11-8-18)39-15-20(35)14-34/h2-13,16,20,25,34-35,37H,14-15H2,1H3,(H,31,36)(H,32,38)/t16-,20+,25-/m0/s1	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	82	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche, Inc. Curated by ChEMBL					Assay Description Inhibition of MEK1 in human H460 cells assessed as inhibition of ERK phosphorylation by Western blot analysis				Mol Cancer Ther 9: 134-44 (2010) Article DOI: 10.1158/1535-7163.MCT-09-0601 BindingDB Entry DOI: 10.7270/Q2930TNW
					More data for this Ligand-Target Pair