BDBM50362113 CHEMBL1940517

SMILES: O=C(N(Cc1cccc(c1)-c1ccccc1)c1ccc(cc1)N1CCNCC1)c1ccc(o1)-c1ccc(cc1)C#N

InChI Key: InChIKey=LYARJBPEOJCWQO-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 = 50362113   

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))	BDBM50362113 (CHEMBL1940517) Show SMILES O=C(N(Cc1cccc(c1)-c1ccccc1)c1ccc(cc1)N1CCNCC1)c1ccc(o1)-c1ccc(cc1)C#N Show InChI InChI=1S/C35H30N4O2/c36-24-26-9-11-29(12-10-26)33-17-18-34(41-33)35(40)39(32-15-13-31(14-16-32)38-21-19-37-20-22-38)25-27-5-4-8-30(23-27)28-6-2-1-3-7-28/h1-18,23,37H,19-22,25H2	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	70	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