BDBM50326681 3-[(2R,6R,11R)-8-Hydroxy-6,11-dimethyl-1,4,5,6-tetrahydro-2,6-methano-3-benzazocin-3(2H)-yl]-N-phenylpropanamide::CHEMBL1254685

SMILES: C[C@H]1CN(CCC(=O)Nc2ccccc2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2

InChI Key: InChIKey=ZQHXSPSYXBMABX-KNZSCRIASA-N

Data: 3 KI  2 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 5 hits for monomerid = 50326681   

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
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50326681 (3-[(2R,6R,11R)-8-Hydroxy-6,11-dimethyl-1,4,5,6-tet...) Show SMILES C[C@H]1CN(CCC(=O)Nc2ccccc2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r| Show InChI InChI=1S/C23H28N2O2/c1-16-15-25(11-10-22(27)24-18-6-4-3-5-7-18)19-12-17-8-9-20(26)13-21(17)23(16,2)14-19/h3-9,13,16,19,26H,10-12,14-15H2,1-2H3,(H,24,27)/t16-,19?,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from Sprague-Dawley rat mu opioid receptor by liquid scintillation counting				Bioorg Med Chem 18: 4975-82 (2010) Article DOI: 10.1016/j.bmc.2010.06.005 BindingDB Entry DOI: 10.7270/Q2P84CW9
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50326681 (3-[(2R,6R,11R)-8-Hydroxy-6,11-dimethyl-1,4,5,6-tet...) Show SMILES C[C@H]1CN(CCC(=O)Nc2ccccc2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r| Show InChI InChI=1S/C23H28N2O2/c1-16-15-25(11-10-22(27)24-18-6-4-3-5-7-18)19-12-17-8-9-20(26)13-21(17)23(16,2)14-19/h3-9,13,16,19,26H,10-12,14-15H2,1-2H3,(H,24,27)/t16-,19?,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from Sprague-Dawley rat delta opioid receptor by liquid scintillation counting				Bioorg Med Chem 18: 4975-82 (2010) Article DOI: 10.1016/j.bmc.2010.06.005 BindingDB Entry DOI: 10.7270/Q2P84CW9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50326681 (3-[(2R,6R,11R)-8-Hydroxy-6,11-dimethyl-1,4,5,6-tet...) Show SMILES C[C@H]1CN(CCC(=O)Nc2ccccc2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r| Show InChI InChI=1S/C23H28N2O2/c1-16-15-25(11-10-22(27)24-18-6-4-3-5-7-18)19-12-17-8-9-20(26)13-21(17)23(16,2)14-19/h3-9,13,16,19,26H,10-12,14-15H2,1-2H3,(H,24,27)/t16-,19?,23+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from Sprague-Dawley rat kappa opioid receptor in guinea pig cerebella by liquid scintillation counting				Bioorg Med Chem 18: 4975-82 (2010) Article DOI: 10.1016/j.bmc.2010.06.005 BindingDB Entry DOI: 10.7270/Q2P84CW9
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50326681 (3-[(2R,6R,11R)-8-Hydroxy-6,11-dimethyl-1,4,5,6-tet...) Show SMILES C[C@H]1CN(CCC(=O)Nc2ccccc2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r| Show InChI InChI=1S/C23H28N2O2/c1-16-15-25(11-10-22(27)24-18-6-4-3-5-7-18)19-12-17-8-9-20(26)13-21(17)23(16,2)14-19/h3-9,13,16,19,26H,10-12,14-15H2,1-2H3,(H,24,27)/t16-,19?,23+/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	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Agonist activity at mu opioid expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation				Bioorg Med Chem 18: 4975-82 (2010) Article DOI: 10.1016/j.bmc.2010.06.005 BindingDB Entry DOI: 10.7270/Q2P84CW9
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50326681 (3-[(2R,6R,11R)-8-Hydroxy-6,11-dimethyl-1,4,5,6-tet...) Show SMILES C[C@H]1CN(CCC(=O)Nc2ccccc2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r| Show InChI InChI=1S/C23H28N2O2/c1-16-15-25(11-10-22(27)24-18-6-4-3-5-7-18)19-12-17-8-9-20(26)13-21(17)23(16,2)14-19/h3-9,13,16,19,26H,10-12,14-15H2,1-2H3,(H,24,27)/t16-,19?,23+/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	12	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Agonist activity at delta opioid expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation				Bioorg Med Chem 18: 4975-82 (2010) Article DOI: 10.1016/j.bmc.2010.06.005 BindingDB Entry DOI: 10.7270/Q2P84CW9
					More data for this Ligand-Target Pair