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SMILES: COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(OC)C=C[C@@]35C[C@@H]1c1ccc(cc1)[N+]([O-])=O

InChI Key: InChIKey=AWNRNVHRUCSKRX-FGYBOQAASA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50305088   

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))	BDBM50305088 (22-nitro-7apha-phenyl-6alpha,14alpha-endo-Ethenote...) Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(OC)C=C[C@@]35C[C@@H]1c1ccc(cc1)[N+]([O-])=O |r,wU:7.7,17.20,wD:12.18,22.24,24.30,13.13,c:23,(-7.57,-14.63,;-6.24,-13.86,;-4.89,-14.63,;-3.57,-13.86,;-2.23,-14.62,;-2.23,-16.17,;-.89,-16.94,;-.89,-18.49,;.44,-19.26,;1.59,-20.29,;-.7,-17.7,;-2.24,-17.7,;-3.56,-18.48,;-4.9,-19.25,;-5.68,-17.5,;-4.9,-16.17,;-3.56,-16.95,;-4.9,-20.79,;-6.38,-21.24,;-6.72,-22.74,;-3.48,-20.81,;-3.54,-19.25,;-2.23,-19.26,;-2.23,-20.8,;-3.56,-21.57,;-3.56,-23.11,;-4.9,-23.87,;-4.9,-25.41,;-3.56,-26.18,;-2.22,-25.4,;-2.23,-23.87,;-3.55,-27.73,;-4.88,-28.5,;-2.22,-28.49,)| Show InChI InChI=1S/C27H28N2O5/c1-28-13-12-26-22-17-6-9-20(32-2)23(22)34-24(26)27(33-3)11-10-25(26,21(28)14-17)15-19(27)16-4-7-18(8-5-16)29(30)31/h4-11,19,21,24H,12-15H2,1-3H3/t19-,21-,24-,25-,26+,27+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human kappa receptor expressed in CHO cells by scintillation counting				Bioorg Med Chem Lett 20: 418-21 (2010) Article DOI: 10.1016/j.bmcl.2009.07.119 BindingDB Entry DOI: 10.7270/Q2BG2P4C
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50305088 (22-nitro-7apha-phenyl-6alpha,14alpha-endo-Ethenote...) Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(OC)C=C[C@@]35C[C@@H]1c1ccc(cc1)[N+]([O-])=O |r,wU:7.7,17.20,wD:12.18,22.24,24.30,13.13,c:23,(-7.57,-14.63,;-6.24,-13.86,;-4.89,-14.63,;-3.57,-13.86,;-2.23,-14.62,;-2.23,-16.17,;-.89,-16.94,;-.89,-18.49,;.44,-19.26,;1.59,-20.29,;-.7,-17.7,;-2.24,-17.7,;-3.56,-18.48,;-4.9,-19.25,;-5.68,-17.5,;-4.9,-16.17,;-3.56,-16.95,;-4.9,-20.79,;-6.38,-21.24,;-6.72,-22.74,;-3.48,-20.81,;-3.54,-19.25,;-2.23,-19.26,;-2.23,-20.8,;-3.56,-21.57,;-3.56,-23.11,;-4.9,-23.87,;-4.9,-25.41,;-3.56,-26.18,;-2.22,-25.4,;-2.23,-23.87,;-3.55,-27.73,;-4.88,-28.5,;-2.22,-28.49,)| Show InChI InChI=1S/C27H28N2O5/c1-28-13-12-26-22-17-6-9-20(32-2)23(22)34-24(26)27(33-3)11-10-25(26,21(28)14-17)15-19(27)16-4-7-18(8-5-16)29(30)31/h4-11,19,21,24H,12-15H2,1-3H3/t19-,21-,24-,25-,26+,27+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from rat delta receptor expressed in CHO cells by scintillation counting				Bioorg Med Chem Lett 20: 418-21 (2010) Article DOI: 10.1016/j.bmcl.2009.07.119 BindingDB Entry DOI: 10.7270/Q2BG2P4C
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50305088 (22-nitro-7apha-phenyl-6alpha,14alpha-endo-Ethenote...) Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(OC)C=C[C@@]35C[C@@H]1c1ccc(cc1)[N+]([O-])=O |r,wU:7.7,17.20,wD:12.18,22.24,24.30,13.13,c:23,(-7.57,-14.63,;-6.24,-13.86,;-4.89,-14.63,;-3.57,-13.86,;-2.23,-14.62,;-2.23,-16.17,;-.89,-16.94,;-.89,-18.49,;.44,-19.26,;1.59,-20.29,;-.7,-17.7,;-2.24,-17.7,;-3.56,-18.48,;-4.9,-19.25,;-5.68,-17.5,;-4.9,-16.17,;-3.56,-16.95,;-4.9,-20.79,;-6.38,-21.24,;-6.72,-22.74,;-3.48,-20.81,;-3.54,-19.25,;-2.23,-19.26,;-2.23,-20.8,;-3.56,-21.57,;-3.56,-23.11,;-4.9,-23.87,;-4.9,-25.41,;-3.56,-26.18,;-2.22,-25.4,;-2.23,-23.87,;-3.55,-27.73,;-4.88,-28.5,;-2.22,-28.49,)| Show InChI InChI=1S/C27H28N2O5/c1-28-13-12-26-22-17-6-9-20(32-2)23(22)34-24(26)27(33-3)11-10-25(26,21(28)14-17)15-19(27)16-4-7-18(8-5-16)29(30)31/h4-11,19,21,24H,12-15H2,1-3H3/t19-,21-,24-,25-,26+,27+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from rat mu receptor expressed in CHO cells by scintillation counting				Bioorg Med Chem Lett 20: 418-21 (2010) Article DOI: 10.1016/j.bmcl.2009.07.119 BindingDB Entry DOI: 10.7270/Q2BG2P4C
					More data for this Ligand-Target Pair