BDBM50225844 CHEMBL56347

SMILES: CCOc1ccc2C(=O)C3C(C)C(C)(CN3CC3CC3)c2c1

InChI Key: InChIKey=NIZSYPMUUIDCPJ-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 = 50225844   

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
Opioid receptors; mu/kappa/delta (Homo sapiens (Human))	BDBM50225844 (CHEMBL56347) Show SMILES CCOc1ccc2C(=O)C3C(C)C(C)(CN3CC3CC3)c2c1 |TLB:11:10:20.7.6:15.14| Show InChI InChI=1S/C19H25NO2/c1-4-22-14-7-8-15-16(9-14)19(3)11-20(10-13-5-6-13)17(12(19)2)18(15)21/h7-9,12-13,17H,4-6,10-11H2,1-3H3	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for antagonistic activity against opioid receptor in electrically stimulated longitudinal muscle of guinea pig ileum				J Med Chem 29: 1861-4 (1986) BindingDB Entry DOI: 10.7270/Q2HX1FW0
					More data for this Ligand-Target Pair