Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 1' and Ligand = 'BDBM272794'   

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 (Mus musculus (Mouse))	BDBM272794 (6-bromo-3-(2-methylpyridin-4-yl)-1,8-dihydro-7H-py...) Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc3[nH]c(=O)c(Br)cc3cc12 Show InChI InChI=1S/C16H11BrN4O/c1-8-4-9(2-3-18-8)15-11-5-10-6-12(17)16(22)19-13(10)7-14(11)20-21-15/h2-7H,1H3,(H,19,22)(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...				US Patent US9745307 (2017) BindingDB Entry DOI: 10.7270/Q28G8NTK
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Mus musculus (Mouse))	BDBM272794 (6-bromo-3-(2-methylpyridin-4-yl)-1,8-dihydro-7H-py...) Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc3[nH]c(=O)c(Br)cc3cc12 Show InChI InChI=1S/C16H11BrN4O/c1-8-4-9(2-3-18-8)15-11-5-10-6-12(17)16(22)19-13(10)7-14(11)20-21-15/h2-7H,1H3,(H,19,22)(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Mouse: Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound w...				US Patent US10759805 (2020) BindingDB Entry DOI: 10.7270/Q26976N7
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM272794 (6-bromo-3-(2-methylpyridin-4-yl)-1,8-dihydro-7H-py...) Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc3[nH]c(=O)c(Br)cc3cc12 Show InChI InChI=1S/C16H11BrN4O/c1-8-4-9(2-3-18-8)15-11-5-10-6-12(17)16(22)19-13(10)7-14(11)20-21-15/h2-7H,1H3,(H,19,22)(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp & Dohme Corp. US Patent					Assay Description Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...				US Patent US10065967 (2018) BindingDB Entry DOI: 10.7270/Q2CF9S47
					More data for this Ligand-Target Pair