BDBM50165050 17-cyclopropylmethyl-10-hydroxy-3-methoxy-13-oxo-(1R,9R,10S)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide::CHEMBL195285

SMILES COc1c(ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34O)c12)C(N)=O

InChI Key InChIKey=AIBFBJNNRKSGIA-ZPMCFJSWSA-N

Data  3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50165050   

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

Curated by ChEMBL
LigandPNGBDBM50165050(17-cyclopropylmethyl-10-hydroxy-3-methoxy-13-oxo-(...)
Show SMILES COc1c(ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34O)c12)C(N)=O
Show InChI InChI=1S/C22H28N2O4/c1-28-19-16(20(23)26)5-4-14-10-17-22(27)7-6-15(25)11-21(22,18(14)19)8-9-24(17)12-13-2-3-13/h4-5,13,17,27H,2-3,6-12H2,1H3,(H2,23,26)/t17-,21-,22-/m1/s1
Affinity DataKi:  11nMAssay Description:Binding affinity against Opioid receptor mu 1 expressed in CHO cells using [3H]DAMGO as radioligandMore data for this Ligand-Target Pair
TargetKappa-type opioid receptor(Homo sapiens (Human))
Rensselaer Polytechnic Institute

Curated by ChEMBL
LigandPNGBDBM50165050(17-cyclopropylmethyl-10-hydroxy-3-methoxy-13-oxo-(...)
Show SMILES COc1c(ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34O)c12)C(N)=O
Show InChI InChI=1S/C22H28N2O4/c1-28-19-16(20(23)26)5-4-14-10-17-22(27)7-6-15(25)11-21(22,18(14)19)8-9-24(17)12-13-2-3-13/h4-5,13,17,27H,2-3,6-12H2,1H3,(H2,23,26)/t17-,21-,22-/m1/s1
Affinity DataKi:  23nMAssay Description:Binding affinity against Opioid receptor kappa 1 expressed in CHO cells using [3H]U-69593 as radioligandMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
Rensselaer Polytechnic Institute

Curated by ChEMBL
LigandPNGBDBM50165050(17-cyclopropylmethyl-10-hydroxy-3-methoxy-13-oxo-(...)
Show SMILES COc1c(ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34O)c12)C(N)=O
Show InChI InChI=1S/C22H28N2O4/c1-28-19-16(20(23)26)5-4-14-10-17-22(27)7-6-15(25)11-21(22,18(14)19)8-9-24(17)12-13-2-3-13/h4-5,13,17,27H,2-3,6-12H2,1H3,(H2,23,26)/t17-,21-,22-/m1/s1
Affinity DataKi:  480nMAssay Description:Binding affinity against Opioid receptor delta 1 expressed in CHO cells using [3H]Naltrindole as radioligandMore data for this Ligand-Target Pair