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BDBM50278387 (1S,5R,13R,17R)-4-methyl-14-oxo-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-triene-10-carboxamide::CHEMBL471049

SMILES: CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3CCC4=O)ccc5C(N)=O

InChI Key: InChIKey=BSIMUCFMGOYWKP-GWLLULGVSA-N

Data: 3 KI  1 EC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50278387   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50278387
PNG
((1S,5R,13R,17R)-4-methyl-14-oxo-12-oxa-4-azapentac...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3CCC4=O)ccc5C(N)=O |r|
Show InChI InChI=1S/C18H20N2O3/c1-20-7-6-18-11-4-5-13(21)16(18)23-15-10(17(19)22)3-2-9(14(15)18)8-12(11)20/h2-3,11-12,16H,4-8H2,1H3,(H2,19,22)/t11-,12+,16-,18-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 19: 2289-94 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.078
BindingDB Entry DOI: 10.7270/Q200030V
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50278387
PNG
((1S,5R,13R,17R)-4-methyl-14-oxo-12-oxa-4-azapentac...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3CCC4=O)ccc5C(N)=O |r|
Show InChI InChI=1S/C18H20N2O3/c1-20-7-6-18-11-4-5-13(21)16(18)23-15-10(17(19)22)3-2-9(14(15)18)8-12(11)20/h2-3,11-12,16H,4-8H2,1H3,(H2,19,22)/t11-,12+,16-,18-/m0/s1
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19n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 19: 2289-94 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.078
BindingDB Entry DOI: 10.7270/Q200030V
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50278387
PNG
((1S,5R,13R,17R)-4-methyl-14-oxo-12-oxa-4-azapentac...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3CCC4=O)ccc5C(N)=O |r|
Show InChI InChI=1S/C18H20N2O3/c1-20-7-6-18-11-4-5-13(21)16(18)23-15-10(17(19)22)3-2-9(14(15)18)8-12(11)20/h2-3,11-12,16H,4-8H2,1H3,(H2,19,22)/t11-,12+,16-,18-/m0/s1
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260n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting


Bioorg Med Chem Lett 19: 2289-94 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.078
BindingDB Entry DOI: 10.7270/Q200030V
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50278387
PNG
((1S,5R,13R,17R)-4-methyl-14-oxo-12-oxa-4-azapentac...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3CCC4=O)ccc5C(N)=O |r|
Show InChI InChI=1S/C18H20N2O3/c1-20-7-6-18-11-4-5-13(21)16(18)23-15-10(17(19)22)3-2-9(14(15)18)8-12(11)20/h2-3,11-12,16H,4-8H2,1H3,(H2,19,22)/t11-,12+,16-,18-/m0/s1
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n/an/an/an/a 110n/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


Bioorg Med Chem Lett 19: 2289-94 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.078
BindingDB Entry DOI: 10.7270/Q200030V
More data for this
Ligand-Target Pair