Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 1' and Ligand = 'BDBM50094308'   

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 (Homo sapiens (Human))	BDBM50094308 (CHEMBL3590114) Show SMILES CNC(=O)c1ccc(F)cc1Nc1cc(Nc2cc(C)nn2C)ncc1C(F)(F)F Show InChI InChI=1S/C23H41N5O3/c1-2-8-22(30)28-21(18-19-9-5-10-20(29)17-19)23(31)27-16-7-15-26-13-4-3-12-25-14-6-11-24/h5,9-10,17,21,25-26,29H,2-4,6-8,11-16,18,24H2,1H3,(H,27,31)(H,28,30)/t21-/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	44	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrate preincubated with enzyme for 20 mins prior to substrate addition by...				J Med Chem 58: 4790-801 (2015) Article DOI: 10.1021/acs.jmedchem.5b00466 BindingDB Entry DOI: 10.7270/Q2V989SJ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50094308 (CHEMBL3590114) Show SMILES CNC(=O)c1ccc(F)cc1Nc1cc(Nc2cc(C)nn2C)ncc1C(F)(F)F Show InChI InChI=1S/C23H41N5O3/c1-2-8-22(30)28-21(18-19-9-5-10-20(29)17-19)23(31)27-16-7-15-26-13-4-3-12-25-14-6-11-24/h5,9-10,17,21,25-26,29H,2-4,6-8,11-16,18,24H2,1H3,(H,27,31)(H,28,30)/t21-/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	340	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrate preincubated with enzyme for 20 mins prior to substrate addition by...				J Med Chem 58: 4790-801 (2015) Article DOI: 10.1021/acs.jmedchem.5b00466 BindingDB Entry DOI: 10.7270/Q2V989SJ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50094308 (CHEMBL3590114) Show SMILES CNC(=O)c1ccc(F)cc1Nc1cc(Nc2cc(C)nn2C)ncc1C(F)(F)F Show InChI InChI=1S/C23H41N5O3/c1-2-8-22(30)28-21(18-19-9-5-10-20(29)17-19)23(31)27-16-7-15-26-13-4-3-12-25-14-6-11-24/h5,9-10,17,21,25-26,29H,2-4,6-8,11-16,18,24H2,1H3,(H,27,31)(H,28,30)/t21-/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	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of ERK2 in human A375 cells harboring B-RAF V600E mutant assessed as decrease in phospho-ERK2 level after 2 hrs by Cellomics ArrayScanTM V...				J Med Chem 58: 4790-801 (2015) Article DOI: 10.1021/acs.jmedchem.5b00466 BindingDB Entry DOI: 10.7270/Q2V989SJ
					More data for this Ligand-Target Pair