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BDBM50296863 (1S,13R)-16-methoxy-22-methyl-10,22-diazahexacyclo[11.7.4.0^{1,13}.0^{3,11}.0^{4,9}.0^{14,19}]tetracosa-3(11),4(9),5,7,14(19),15,17-heptaene::CHEMBL551072

SMILES: COc1ccc2C[C@@]34CN(C)CC[C@@]3(Cc3[nH]c5ccccc5c3C4)c2c1

InChI Key: InChIKey=IGYSMXNFAHTQKV-DNQXCXABSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50296863   
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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50296863
PNG
((1S,13R)-16-methoxy-22-methyl-10,22-diazahexacyclo...)
Show SMILES COc1ccc2C[C@@]34CN(C)CC[C@@]3(Cc3[nH]c5ccccc5c3C4)c2c1 |r|
Show InChI InChI=1S/C24H26N2O/c1-26-10-9-24-14-22-19(18-5-3-4-6-21(18)25-22)13-23(24,15-26)12-16-7-8-17(27-2)11-20(16)24/h3-8,11,25H,9-10,12-15H2,1-2H3/t23-,24-/m1/s1
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PC cid
PC sid
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Article
PubMed
765n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 4603-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.093
BindingDB Entry DOI: 10.7270/Q2WQ04RF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50296863
PNG
((1S,13R)-16-methoxy-22-methyl-10,22-diazahexacyclo...)
Show SMILES COc1ccc2C[C@@]34CN(C)CC[C@@]3(Cc3[nH]c5ccccc5c3C4)c2c1 |r|
Show InChI InChI=1S/C24H26N2O/c1-26-10-9-24-14-22-19(18-5-3-4-6-21(18)25-22)13-23(24,15-26)12-16-7-8-17(27-2)11-20(16)24/h3-8,11,25H,9-10,12-15H2,1-2H3/t23-,24-/m1/s1
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Article
PubMed
1.82E+3n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 4603-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.093
BindingDB Entry DOI: 10.7270/Q2WQ04RF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50296863
PNG
((1S,13R)-16-methoxy-22-methyl-10,22-diazahexacyclo...)
Show SMILES COc1ccc2C[C@@]34CN(C)CC[C@@]3(Cc3[nH]c5ccccc5c3C4)c2c1 |r|
Show InChI InChI=1S/C24H26N2O/c1-26-10-9-24-14-22-19(18-5-3-4-6-21(18)25-22)13-23(24,15-26)12-16-7-8-17(27-2)11-20(16)24/h3-8,11,25H,9-10,12-15H2,1-2H3/t23-,24-/m1/s1
PDB

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antibodypedia
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PC cid
PC sid
UniChem

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Article
PubMed
5.12E+3n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]U50488 from human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 4603-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.093
BindingDB Entry DOI: 10.7270/Q2WQ04RF
More data for this
Ligand-Target Pair