BDBM50061576 CHEMBL3393880

SMILES: O=C(Cc1ccccc1)Nc1nc2ccccc2n1CCN1CCCC1

InChI Key: InChIKey=BKYWONSHBPAJKO-UHFFFAOYSA-N

Data: 1 EC50

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 = 50061576   

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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50061576 (CHEMBL3393880) Show SMILES O=C(Cc1ccccc1)Nc1nc2ccccc2n1CCN1CCCC1 Show InChI InChI=1S/C21H24N4O/c26-20(16-17-8-2-1-3-9-17)23-21-22-18-10-4-5-11-19(18)25(21)15-14-24-12-6-7-13-24/h1-5,8-11H,6-7,12-16H2,(H,22,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a
Dr. Reddy's Laboratories Ltd Curated by ChEMBL					Assay Description Agonist activity at human kappa opioid receptor expressed in COS7 cells after 60 mins IP1 assay				Bioorg Med Chem Lett 25: 887-92 (2015) Article DOI: 10.1016/j.bmcl.2014.12.064 BindingDB Entry DOI: 10.7270/Q2542Q8K
					More data for this Ligand-Target Pair