BDBM50061386 CHEMBL3393996

SMILES: CC(=O)c1ccc(s1)C(=O)Nc1nc2ccccc2n1CCN1CCCC1

InChI Key: InChIKey=TXZZDRODLKKDLE-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 = 50061386   

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))	BDBM50061386 (CHEMBL3393996) Show SMILES CC(=O)c1ccc(s1)C(=O)Nc1nc2ccccc2n1CCN1CCCC1 Show InChI InChI=1S/C20H22N4O2S/c1-14(25)17-8-9-18(27-17)19(26)22-20-21-15-6-2-3-7-16(15)24(20)13-12-23-10-4-5-11-23/h2-3,6-9H,4-5,10-13H2,1H3,(H,21,22,26)	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	734	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