BDBM50072607 CHEMBL3409579

SMILES: OCC(c1cccc(c1)C#N)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1

InChI Key: InChIKey=KFQWHXCKZQIVTI-UHFFFAOYSA-N

Data: 1 KI

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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 = 50072607   

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))	BDBM50072607 (CHEMBL3409579) Show SMILES OCC(c1cccc(c1)C#N)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1 Show InChI InChI=1S/C23H23N5O3/c24-14-16-2-1-3-18(12-16)21(15-29)28-9-5-17(13-22(28)30)20-4-8-25-23(27-20)26-19-6-10-31-11-7-19/h1-5,8-9,12-13,19,21,29H,6-7,10-11,15H2,(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc Curated by ChEMBL					Assay Description Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay				J Med Chem 58: 1976-91 (2015) Article DOI: 10.1021/jm501921k BindingDB Entry DOI: 10.7270/Q2TM7CT7
					More data for this Ligand-Target Pair