Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 9' and Ligand = 'BDBM50252779'   

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 9 (Homo sapiens (Human))	BDBM50252779 (CHEMBL494469 | N-Cyclopropyl-4-methyl-3-(1-((3S)-3...) Show SMILES C[C@H]1COCCN1c1nncc2cc(ccc12)-c1cc(ccc1C)C(=O)NC1CC1 |r| Show InChI InChI=1S/C24H26N4O2/c1-15-3-4-18(24(29)26-20-6-7-20)12-22(15)17-5-8-21-19(11-17)13-25-27-23(21)28-9-10-30-14-16(28)2/h3-5,8,11-13,16,20H,6-7,9-10,14H2,1-2H3,(H,26,29)/t16-/m0/s1	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	4.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Inhibition of JNK2 (unknown origin)				J Med Chem 51: 6271-9 (2008) Article DOI: 10.1021/jm8005417 BindingDB Entry DOI: 10.7270/Q2WH2PTN
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