BDBM50273416 (3R*,6aS*,11aR*)-1,3,4,5,6,11a-Hexahydro-2-phenethyl-2H-3,6a-methanobenzofuro[2,3-c]azocin-10-ol::CHEMBL455906

SMILES: Oc1ccc2O[C@H]3CN(CCc4ccccc4)[C@@H]4CCC[C@]3(C4)c2c1

InChI Key: InChIKey=RPHBDNREXVLWPF-VNQANMTISA-N

Data: 3 KI

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 3 hits for monomerid = 50273416   

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))	BDBM50273416 ((3R*,6aS*,11aR*)-1,3,4,5,6,11a-Hexahydro-2-pheneth...) Show SMILES Oc1ccc2O[C@H]3CN(CCc4ccccc4)[C@@H]4CCC[C@]3(C4)c2c1 |r| Show InChI InChI=1S/C22H25NO2/c24-18-8-9-20-19(13-18)22-11-4-7-17(14-22)23(15-21(22)25-20)12-10-16-5-2-1-3-6-16/h1-3,5-6,8-9,13,17,21,24H,4,7,10-12,14-15H2/t17?,21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [125I]IOXY from human recombinant kappa opioid receptor expressed in CHO cells				J Med Chem 51: 7866-81 (2008) Article DOI: 10.1021/jm800913d BindingDB Entry DOI: 10.7270/Q2639PM8
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50273416 ((3R*,6aS*,11aR*)-1,3,4,5,6,11a-Hexahydro-2-pheneth...) Show SMILES Oc1ccc2O[C@H]3CN(CCc4ccccc4)[C@@H]4CCC[C@]3(C4)c2c1 |r| Show InChI InChI=1S/C22H25NO2/c24-18-8-9-20-19(13-18)22-11-4-7-17(14-22)23(15-21(22)25-20)12-10-16-5-2-1-3-6-16/h1-3,5-6,8-9,13,17,21,24H,4,7,10-12,14-15H2/t17?,21-,22-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.22E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [125I]IOXY from human recombinant mu opioid receptor expressed in CHO cells				J Med Chem 51: 7866-81 (2008) Article DOI: 10.1021/jm800913d BindingDB Entry DOI: 10.7270/Q2639PM8
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50273416 ((3R*,6aS*,11aR*)-1,3,4,5,6,11a-Hexahydro-2-pheneth...) Show SMILES Oc1ccc2O[C@H]3CN(CCc4ccccc4)[C@@H]4CCC[C@]3(C4)c2c1 |r| Show InChI InChI=1S/C22H25NO2/c24-18-8-9-20-19(13-18)22-11-4-7-17(14-22)23(15-21(22)25-20)12-10-16-5-2-1-3-6-16/h1-3,5-6,8-9,13,17,21,24H,4,7,10-12,14-15H2/t17?,21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.53E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [125I]IOXY from human recombinant delta opioid receptor expressed in CHO cells				J Med Chem 51: 7866-81 (2008) Article DOI: 10.1021/jm800913d BindingDB Entry DOI: 10.7270/Q2639PM8
					More data for this Ligand-Target Pair