BDBM50278265 CCDC 710249, HCl salt::CHEMBL471243

SMILES NC(=O)c1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34O)c2c1O

InChI Key InChIKey=RYIDHLJADOKWFM-MAODMQOUSA-N

Data  3 KI  3 IC50  2 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50278265   

TargetMu-type opioid receptor(Homo sapiens (Human))
Rensselaer Polytechnic Institute

Curated by ChEMBL
LigandPNGBDBM50278265(CCDC 710249, HCl salt | CHEMBL471243)
Show SMILES NC(=O)c1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34O)c2c1O
Show InChI InChI=1S/C21H26N2O4/c22-19(26)15-4-3-13-9-16-21(27)6-5-14(24)10-20(21,17(13)18(15)25)7-8-23(16)11-12-1-2-12/h3-4,12,16,25,27H,1-2,5-11H2,(H2,22,26)/t16-,20-,21-/m1/s1
Affinity DataKi:  0.0520nMAssay Description:Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation countingMore data for this Ligand-Target Pair
TargetKappa-type opioid receptor(Homo sapiens (Human))
Rensselaer Polytechnic Institute

Curated by ChEMBL
LigandPNGBDBM50278265(CCDC 710249, HCl salt | CHEMBL471243)
Show SMILES NC(=O)c1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34O)c2c1O
Show InChI InChI=1S/C21H26N2O4/c22-19(26)15-4-3-13-9-16-21(27)6-5-14(24)10-20(21,17(13)18(15)25)7-8-23(16)11-12-1-2-12/h3-4,12,16,25,27H,1-2,5-11H2,(H2,22,26)/t16-,20-,21-/m1/s1
Affinity DataKi:  0.230nMAssay Description:Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation countingMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
Rensselaer Polytechnic Institute

Curated by ChEMBL
LigandPNGBDBM50278265(CCDC 710249, HCl salt | CHEMBL471243)
Show SMILES NC(=O)c1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34O)c2c1O
Show InChI InChI=1S/C21H26N2O4/c22-19(26)15-4-3-13-9-16-21(27)6-5-14(24)10-20(21,17(13)18(15)25)7-8-23(16)11-12-1-2-12/h3-4,12,16,25,27H,1-2,5-11H2,(H2,22,26)/t16-,20-,21-/m1/s1
Affinity DataKi:  2.60nMAssay Description:Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation countingMore data for this Ligand-Target Pair
TargetMu-type opioid receptor(Homo sapiens (Human))
Rensselaer Polytechnic Institute

Curated by ChEMBL
LigandPNGBDBM50278265(CCDC 710249, HCl salt | CHEMBL471243)
Show SMILES NC(=O)c1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34O)c2c1O
Show InChI InChI=1S/C21H26N2O4/c22-19(26)15-4-3-13-9-16-21(27)6-5-14(24)10-20(21,17(13)18(15)25)7-8-23(16)11-12-1-2-12/h3-4,12,16,25,27H,1-2,5-11H2,(H2,22,26)/t16-,20-,21-/m1/s1
Affinity DataIC50: 0.880nMAssay Description:Antagonist activity against human mu opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-stimulated [35S]GTPgammaS bindingMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
Rensselaer Polytechnic Institute

Curated by ChEMBL
LigandPNGBDBM50278265(CCDC 710249, HCl salt | CHEMBL471243)
Show SMILES NC(=O)c1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34O)c2c1O
Show InChI InChI=1S/C21H26N2O4/c22-19(26)15-4-3-13-9-16-21(27)6-5-14(24)10-20(21,17(13)18(15)25)7-8-23(16)11-12-1-2-12/h3-4,12,16,25,27H,1-2,5-11H2,(H2,22,26)/t16-,20-,21-/m1/s1
Affinity DataIC50: 6.90nMAssay Description:Antagonist activity against human delta opioid receptor expressed in CHO cells assessed as inhibition of SNC80-stimulated [35S]GTPgammaS bindingMore data for this Ligand-Target Pair
TargetKappa-type opioid receptor(Homo sapiens (Human))
Rensselaer Polytechnic Institute

Curated by ChEMBL
LigandPNGBDBM50278265(CCDC 710249, HCl salt | CHEMBL471243)
Show SMILES NC(=O)c1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34O)c2c1O
Show InChI InChI=1S/C21H26N2O4/c22-19(26)15-4-3-13-9-16-21(27)6-5-14(24)10-20(21,17(13)18(15)25)7-8-23(16)11-12-1-2-12/h3-4,12,16,25,27H,1-2,5-11H2,(H2,22,26)/t16-,20-,21-/m1/s1
Affinity DataIC50: 38nMAssay Description:Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS bindingMore data for this Ligand-Target Pair
TargetKappa-type opioid receptor(Homo sapiens (Human))
Rensselaer Polytechnic Institute

Curated by ChEMBL
LigandPNGBDBM50278265(CCDC 710249, HCl salt | CHEMBL471243)
Show SMILES NC(=O)c1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34O)c2c1O
Show InChI InChI=1S/C21H26N2O4/c22-19(26)15-4-3-13-9-16-21(27)6-5-14(24)10-20(21,17(13)18(15)25)7-8-23(16)11-12-1-2-12/h3-4,12,16,25,27H,1-2,5-11H2,(H2,22,26)/t16-,20-,21-/m1/s1
Affinity DataEC50:  3.30nMAssay Description:Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS bindingMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
Rensselaer Polytechnic Institute

Curated by ChEMBL
LigandPNGBDBM50278265(CCDC 710249, HCl salt | CHEMBL471243)
Show SMILES NC(=O)c1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34O)c2c1O
Show InChI InChI=1S/C21H26N2O4/c22-19(26)15-4-3-13-9-16-21(27)6-5-14(24)10-20(21,17(13)18(15)25)7-8-23(16)11-12-1-2-12/h3-4,12,16,25,27H,1-2,5-11H2,(H2,22,26)/t16-,20-,21-/m1/s1
Affinity DataEC50:  1.80nMAssay Description:Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS bindingMore data for this Ligand-Target Pair