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SMILES: COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1cn(C)nn1

InChI Key: InChIKey=VFXYGRWDLAQGRF-JQFXXIQLSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50266917   
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
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50266917
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-6a,1...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1cn(C)nn1 |r|
Show InChI InChI=1S/C22H29N3O7/c1-11(26)31-15-8-13(19(28)30-5)21(2)7-6-12-20(29)32-16(14-10-25(4)24-23-14)9-22(12,3)18(21)17(15)27/h10,12-13,15-16,18H,6-9H2,1-5H3/t12-,13-,15-,16-,18-,21-,22-/m0/s1
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PC cid
PC sid
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Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 1301-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.078
BindingDB Entry DOI: 10.7270/Q2MP546B
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50266917
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-6a,1...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1cn(C)nn1 |r|
Show InChI InChI=1S/C22H29N3O7/c1-11(26)31-15-8-13(19(28)30-5)21(2)7-6-12-20(29)32-16(14-10-25(4)24-23-14)9-22(12,3)18(21)17(15)27/h10,12-13,15-16,18H,6-9H2,1-5H3/t12-,13-,15-,16-,18-,21-,22-/m0/s1
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PC cid
PC sid
UniChem

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Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 1301-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.078
BindingDB Entry DOI: 10.7270/Q2MP546B
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50266917
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-6a,1...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1cn(C)nn1 |r|
Show InChI InChI=1S/C22H29N3O7/c1-11(26)31-15-8-13(19(28)30-5)21(2)7-6-12-20(29)32-16(14-10-25(4)24-23-14)9-22(12,3)18(21)17(15)27/h10,12-13,15-16,18H,6-9H2,1-5H3/t12-,13-,15-,16-,18-,21-,22-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from mouse delta opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 1301-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.078
BindingDB Entry DOI: 10.7270/Q2MP546B
More data for this
Ligand-Target Pair