BDBM50061397 CHEMBL3393892

SMILES: OC(=O)COc1cccc(c1)C(=O)Nc1nc2ccccc2n1CCN1CCCC1

InChI Key: InChIKey=OOIOJHGTQKYDBE-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 = 50061397   

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))	BDBM50061397 (CHEMBL3393892) Show SMILES OC(=O)COc1cccc(c1)C(=O)Nc1nc2ccccc2n1CCN1CCCC1 Show InChI InChI=1S/C22H24N4O4/c27-20(28)15-30-17-7-5-6-16(14-17)21(29)24-22-23-18-8-1-2-9-19(18)26(22)13-12-25-10-3-4-11-25/h1-2,5-9,14H,3-4,10-13,15H2,(H,27,28)(H,23,24,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	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