Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 1' and Ligand = 'BDBM50461929'   

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))	BDBM50461929 (CHEMBL4226533) Show SMILES CCO[C@]1(CCN(CC(=O)N2CCN(CC2)c2ccc(cc2)-c2ncccn2)C1)C(=O)Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1 |r| Show InChI InChI=1S/C36H37FN8O3/c1-2-48-36(35(47)40-28-10-13-31-30(22-28)33(42-41-31)25-4-8-27(37)9-5-25)14-17-43(24-36)23-32(46)45-20-18-44(19-21-45)29-11-6-26(7-12-29)34-38-15-3-16-39-34/h3-13,15-16,22H,2,14,17-21,23-24H2,1H3,(H,40,47)(H,41,42)/t36-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of ERK2 (unknown origin)				Bioorg Med Chem Lett 28: 2029-2034 (2018) Article DOI: 10.1016/j.bmcl.2018.04.063 BindingDB Entry DOI: 10.7270/Q25H7JW8
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