BDBM50203117 CHEMBL3934673

SMILES: CCn1ncc2cc3NC(=O)N[C@H](COC[C@@H](O)Cc(n3)c12)c1ccc(OC)c(F)c1

InChI Key: InChIKey=ABTYOLPYCNKOPC-WMLDXEAASA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50203117   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50203117 (CHEMBL3934673) Show SMILES CCn1ncc2cc3NC(=O)N[C@H](COC[C@@H](O)Cc(n3)c12)c1ccc(OC)c(F)c1 |r| Show InChI InChI=1S/C21H24FN5O4/c1-3-27-20-13(9-23-27)7-19-24-16(20)8-14(28)10-31-11-17(25-21(29)26-19)12-4-5-18(30-2)15(22)6-12/h4-7,9,14,17,28H,3,8,10-11H2,1-2H3,(H2,24,25,26,29)/t14-,17+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Dart Neuroscience LLC Curated by ChEMBL					Assay Description Inhibition of human activated ERK2 assessed as reduction in phosphorylation activity preincubated for 15 mins followed by addition of IMAP peptide as...				ACS Med Chem Lett 7: 1020-1021 (2016) Article DOI: 10.1021/acsmedchemlett.6b00434 BindingDB Entry DOI: 10.7270/Q26Q207M
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