Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 1' and Ligand = 'BDBM50169956'   

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))	BDBM50169956 (2-(Benzooxazol-2-ylsulfanyl)-N-(4-tetrazol-1-yl-ph...) Show SMILES O=C(CSc1nc2ccccc2o1)Nc1ccc(cc1)-n1cnnn1 Show InChI InChI=1S/C16H12N6O2S/c23-15(9-25-16-19-13-3-1-2-4-14(13)24-16)18-11-5-7-12(8-6-11)22-10-17-20-21-22/h1-8,10H,9H2,(H,18,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Dissociation constant for ERK2 kinase				J Med Chem 48: 4586-95 (2005) Article DOI: 10.1021/jm0501174 BindingDB Entry DOI: 10.7270/Q2VT1RNN
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