BDBM50362126 CHEMBL1940647

SMILES: COc1cccc(c1)-c1ccccc1CN(C(=O)c1ccc(o1)-c1ccc(cc1)C#N)c1ccc(cc1)N1CCNCC1

InChI Key: InChIKey=ONBBGDWEEADKDE-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50362126   

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
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50362126 (CHEMBL1940647) Show SMILES COc1cccc(c1)-c1ccccc1CN(C(=O)c1ccc(o1)-c1ccc(cc1)C#N)c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C36H32N4O3/c1-42-32-7-4-6-28(23-32)33-8-3-2-5-29(33)25-40(31-15-13-30(14-16-31)39-21-19-38-20-22-39)36(41)35-18-17-34(43-35)27-11-9-26(24-37)10-12-27/h2-18,23,38H,19-22,25H2,1H3	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	12	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human MK2				Bioorg Med Chem Lett 22: 65-70 (2011) Article DOI: 10.1016/j.bmcl.2011.11.074 BindingDB Entry DOI: 10.7270/Q2R78FNS
					More data for this Ligand-Target Pair