BDBM50305088 22-nitro-7apha-phenyl-6alpha,14alpha-endo-Ethenotetrahydrothebaine::CHEMBL606343

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

Data  3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50305088   

TargetKappa-type opioid receptor(Homo sapiens (Human))
Fudan University

Curated by ChEMBL
LigandPNGBDBM50305088(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
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
Affinity DataKi:  1.00E+4nMAssay Description:Displacement of [3H]diprenorphine from human kappa receptor expressed in CHO cells by scintillation countingMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Rattus norvegicus (rat))
Fudan University

Curated by ChEMBL
LigandPNGBDBM50305088(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
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
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]diprenorphine from rat delta receptor expressed in CHO cells by scintillation countingMore data for this Ligand-Target Pair
TargetMu-type opioid receptor(Rattus norvegicus (rat))
Fudan University

Curated by ChEMBL
LigandPNGBDBM50305088(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
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
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]diprenorphine from rat mu receptor expressed in CHO cells by scintillation countingMore data for this Ligand-Target Pair