Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 1' and Ligand = 'BDBM157778'   

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))	BDBM157778 (US9023865, 619) Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc(NC(=O)NCc3cccc(c3)S(C)(=O)=O)ncc12 Show InChI InChI=1S/C21H20N6O3S/c1-13-8-15(6-7-22-13)20-17-12-23-19(10-18(17)26-27-20)25-21(28)24-11-14-4-3-5-16(9-14)31(2,29)30/h3-10,12H,11H2,1-2H3,(H,26,27)(H2,23,24,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.159	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 US9023865 (2015) BindingDB Entry DOI: 10.7270/Q2PN94CC
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