Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 1' and Ligand = 'BDBM50113672'   

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))	BDBM50113672 (CHEMBL3604846) Show SMILES Cn1cc(ccc1=O)-c1n[nH]c2CCN(Cc12)c1ccn(Cc2ccccc2)c(=O)c1 Show InChI InChI=1S/C24H23N5O2/c1-27-15-18(7-8-22(27)30)24-20-16-28(12-10-21(20)25-26-24)19-9-11-29(23(31)13-19)14-17-5-3-2-4-6-17/h2-9,11,13,15H,10,12,14,16H2,1H3,(H,25,26)	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	7	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of ERK2 (unknown origin)				Bioorg Med Chem Lett 25: 3626-9 (2015) Article DOI: 10.1016/j.bmcl.2015.06.063 BindingDB Entry DOI: 10.7270/Q2QR4ZXX
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