BDBM50318414 7alpha-(1-Hydroxy-1-methyl-ethyl)-6,7,8,14-tetrahydro-6beta,14beta-endoethenooripavine::CHEMBL1094466

SMILES: CO[C@]12C=C[C@@]3(C[C@@H]1C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45

InChI Key: InChIKey=IXPHHHSWTVEWTP-VWUQPSBSSA-N

Data: 2 IC50  1 EC50

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 = 50318414   

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))	BDBM50318414 (7alpha-(1-Hydroxy-1-methyl-ethyl)-6,7,8,14-tetrahy...) Show SMILES CO[C@]12C=C[C@@]3(C[C@@H]1C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45 |r,wU:12.28,wD:21.21,22.30,7.8,5.4,2.1,c:3,(13.48,2.74,;12.17,3.49,;10.83,2.71,;9.77,2.36,;9.26,1.59,;8.16,1.17,;8.16,2.71,;9.5,3.49,;9.49,5.03,;10.82,5.8,;8.16,5.79,;9.48,6.56,;6.83,.39,;6.83,-1.15,;8.16,-1.91,;8.16,-3.45,;9.49,-4.22,;10.83,-3.45,;12.16,-4.22,;10.83,-1.93,;11.76,-.31,;10.84,1.17,;9.5,.4,;7.99,-.18,;6.26,-.16,;5.5,1.16,;4.18,.39,;9.5,-1.15,)| Show InChI InChI=1S/C24H31NO3/c1-21(2,3)16-13-22-8-9-24(16,27-5)20-23(22)10-11-25(4)17(22)12-14-6-7-15(26)19(28-20)18(14)23/h6-9,16-17,20,26H,10-13H2,1-5H3/t16-,17-,20-,22-,23+,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.540	n/a	n/a	n/a	n/a	n/a	n/a
University of Debrecen Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor from Wistar rat brain by liquid scintillation counting				Bioorg Med Chem 18: 3535-42 (2010) Article DOI: 10.1016/j.bmc.2010.03.068 BindingDB Entry DOI: 10.7270/Q2JS9QK7
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50318414 (7alpha-(1-Hydroxy-1-methyl-ethyl)-6,7,8,14-tetrahy...) Show SMILES CO[C@]12C=C[C@@]3(C[C@@H]1C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45 |r,wU:12.28,wD:21.21,22.30,7.8,5.4,2.1,c:3,(13.48,2.74,;12.17,3.49,;10.83,2.71,;9.77,2.36,;9.26,1.59,;8.16,1.17,;8.16,2.71,;9.5,3.49,;9.49,5.03,;10.82,5.8,;8.16,5.79,;9.48,6.56,;6.83,.39,;6.83,-1.15,;8.16,-1.91,;8.16,-3.45,;9.49,-4.22,;10.83,-3.45,;12.16,-4.22,;10.83,-1.93,;11.76,-.31,;10.84,1.17,;9.5,.4,;7.99,-.18,;6.26,-.16,;5.5,1.16,;4.18,.39,;9.5,-1.15,)| Show InChI InChI=1S/C24H31NO3/c1-21(2,3)16-13-22-8-9-24(16,27-5)20-23(22)10-11-25(4)17(22)12-14-6-7-15(26)19(28-20)18(14)23/h6-9,16-17,20,26H,10-13H2,1-5H3/t16-,17-,20-,22-,23+,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Debrecen Curated by ChEMBL					Assay Description Displacement of [3H]deltorphin-2 from delta opioid receptor from Wistar rat brain by liquid scintillation counting				Bioorg Med Chem 18: 3535-42 (2010) Article DOI: 10.1016/j.bmc.2010.03.068 BindingDB Entry DOI: 10.7270/Q2JS9QK7
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50318414 (7alpha-(1-Hydroxy-1-methyl-ethyl)-6,7,8,14-tetrahy...) Show SMILES CO[C@]12C=C[C@@]3(C[C@@H]1C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45 |r,wU:12.28,wD:21.21,22.30,7.8,5.4,2.1,c:3,(13.48,2.74,;12.17,3.49,;10.83,2.71,;9.77,2.36,;9.26,1.59,;8.16,1.17,;8.16,2.71,;9.5,3.49,;9.49,5.03,;10.82,5.8,;8.16,5.79,;9.48,6.56,;6.83,.39,;6.83,-1.15,;8.16,-1.91,;8.16,-3.45,;9.49,-4.22,;10.83,-3.45,;12.16,-4.22,;10.83,-1.93,;11.76,-.31,;10.84,1.17,;9.5,.4,;7.99,-.18,;6.26,-.16,;5.5,1.16,;4.18,.39,;9.5,-1.15,)| Show InChI InChI=1S/C24H31NO3/c1-21(2,3)16-13-22-8-9-24(16,27-5)20-23(22)10-11-25(4)17(22)12-14-6-7-15(26)19(28-20)18(14)23/h6-9,16-17,20,26H,10-13H2,1-5H3/t16-,17-,20-,22-,23+,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	11.9	n/a	n/a	n/a	n/a
University of Debrecen Curated by ChEMBL					Assay Description Agonist activity at mu opioid receptor in Swiss albino mouse ileum assessed as inhibition of electrically-stimulated muscle contraction				Bioorg Med Chem 18: 3535-42 (2010) Article DOI: 10.1016/j.bmc.2010.03.068 BindingDB Entry DOI: 10.7270/Q2JS9QK7
					More data for this Ligand-Target Pair