BDBM50316548 CHEMBL1098359::aknadinine

SMILES: COC1=C(OC)[C@]23CCc4ccc(OC)c(O)c4[C@]2(CCN3C)CC1=O

InChI Key: InChIKey=XLWYWPDYNLZUJS-VQTJNVASSA-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 = 50316548   

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 (Homo sapiens (Human))	BDBM50316548 (CHEMBL1098359 | aknadinine) Show SMILES COC1=C(OC)[C@]23CCc4ccc(OC)c(O)c4[C@]2(CCN3C)CC1=O |r,c:2| Show InChI InChI=1S/C20H25NO5/c1-21-10-9-19-11-13(22)17(25-3)18(26-4)20(19,21)8-7-12-5-6-14(24-2)16(23)15(12)19/h5-6,23H,7-11H2,1-4H3/t19-,20+/m0/s1	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	4.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Displacement of [3H]deltorphin-2 from human delta opioid receptor expressed in HEK293 cell membrane				J Nat Prod 73: 988-91 (2010) Article DOI: 10.1021/np100009j BindingDB Entry DOI: 10.7270/Q2FF3SHH
					More data for this Ligand-Target Pair