Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 1' and Ligand = 'BDBM50195456'   

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))	BDBM50195456 (CHEMBL221271 | N'-nitro-2-((5-(3-nitrophenyl)furan...) Show SMILES NC(N=NCc1ccc(o1)-c1cccc(c1)[N+]([O-])=O)=N[N+]([O-])=O |w:19.21,3.3| Show InChI InChI=1S/C12H10N6O5/c13-12(16-18(21)22)15-14-7-10-4-5-11(23-10)8-2-1-3-9(6-8)17(19)20/h1-6H,7H2,(H2,13,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Binding affinity to ERK2 by fluorescence quenching				Bioorg Med Chem Lett 16: 6281-7 (2006) Article DOI: 10.1016/j.bmcl.2006.09.038 BindingDB Entry DOI: 10.7270/Q2G160GV
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