BDBM50422799 CHEMBL380526

SMILES: COc1cccc(c1)[C@H](N1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C)c1ccc2CN(CC(O)=O)Cc2c1

InChI Key: InChIKey=ZZTSAVDIYDMRAA-UDKTZTBJSA-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 = 50422799   

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
Delta-type opioid receptor (MOUSE)	BDBM50422799 (CHEMBL380526) Show SMILES COc1cccc(c1)[C@H](N1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C)c1ccc2CN(CC(O)=O)Cc2c1 Show InChI InChI=1S/C31H37N3O3/c1-22-17-34(23(2)16-33(22)18-24-8-5-4-6-9-24)31(25-10-7-11-29(15-25)37-3)26-12-13-27-19-32(21-30(35)36)20-28(27)14-26/h4-15,22-23,31H,16-21H2,1-3H3,(H,35,36)/t22-,23+,31+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25.1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Agonist activity at delta opioid receptor in mouse vas deferens				Bioorg Med Chem Lett 16: 905-10 (2006) Article DOI: 10.1016/j.bmcl.2005.10.102 BindingDB Entry DOI: 10.7270/Q2930VG2
					More data for this Ligand-Target Pair