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BDBM50336611 3-((1R,5S)-2-(((1'S,2'S)-2-Phenylcyclopropyl)methyl)-2-azabicyclo[3.3.1]nonan-5-yl)phenol hydrochloride::CHEMBL1672182

SMILES: Oc1cccc(c1)[C@@]12CCC[C@@H](C1)N(C[C@H]1C[C@@H]1c1ccccc1)CC2

InChI Key: InChIKey=BJIZSNKTBYAOCG-NZRJUOQRSA-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 = 50336611   
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


(Homo sapiens (Human))
BDBM50336611
PNG
(3-((1R,5S)-2-(((1'S,2'S)-2-Phenylcyclopropyl)methy...)
Show SMILES Oc1cccc(c1)[C@@]12CCC[C@@H](C1)N(C[C@H]1C[C@@H]1c1ccccc1)CC2 |r|
Show InChI InChI=1S/C24H29NO/c26-22-10-4-8-20(15-22)24-11-5-9-21(16-24)25(13-12-24)17-19-14-23(19)18-6-2-1-3-7-18/h1-4,6-8,10,15,19,21,23,26H,5,9,11-14,16-17H2/t19-,21+,23-,24-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human recombinant mu opioid receptor expressed in CHO cells


J Med Chem 54: 957-69 (2011)


Article DOI: 10.1021/jm1011676
BindingDB Entry DOI: 10.7270/Q2GX4BV4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50336611
PNG
(3-((1R,5S)-2-(((1'S,2'S)-2-Phenylcyclopropyl)methy...)
Show SMILES Oc1cccc(c1)[C@@]12CCC[C@@H](C1)N(C[C@H]1C[C@@H]1c1ccccc1)CC2 |r|
Show InChI InChI=1S/C24H29NO/c26-22-10-4-8-20(15-22)24-11-5-9-21(16-24)25(13-12-24)17-19-14-23(19)18-6-2-1-3-7-18/h1-4,6-8,10,15,19,21,23,26H,5,9,11-14,16-17H2/t19-,21+,23-,24-/m1/s1
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Article
PubMed
72n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human recombinant kappa opioid receptor expressed in CHO cells


J Med Chem 54: 957-69 (2011)


Article DOI: 10.1021/jm1011676
BindingDB Entry DOI: 10.7270/Q2GX4BV4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50336611
PNG
(3-((1R,5S)-2-(((1'S,2'S)-2-Phenylcyclopropyl)methy...)
Show SMILES Oc1cccc(c1)[C@@]12CCC[C@@H](C1)N(C[C@H]1C[C@@H]1c1ccccc1)CC2 |r|
Show InChI InChI=1S/C24H29NO/c26-22-10-4-8-20(15-22)24-11-5-9-21(16-24)25(13-12-24)17-19-14-23(19)18-6-2-1-3-7-18/h1-4,6-8,10,15,19,21,23,26H,5,9,11-14,16-17H2/t19-,21+,23-,24-/m1/s1
PDB

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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
165n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human recombinant delta opioid receptor expressed in CHO cells


J Med Chem 54: 957-69 (2011)


Article DOI: 10.1021/jm1011676
BindingDB Entry DOI: 10.7270/Q2GX4BV4
More data for this
Ligand-Target Pair