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BDBM50360143 CHEMBL1929363

SMILES: Oc1ccc2C[C@@H]3[C@@H]4Cc5cc6ccccc6nc5[C@@H]5Oc1c2[C@]45CCN3CC1CC1

InChI Key: InChIKey=IZDCSALITLBJNW-LQIWJUJESA-N

Data: 3 KI

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50360143   
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


(Rattus norvegicus (rat))
BDBM50360143
PNG
(CHEMBL1929363)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4Cc5cc6ccccc6nc5[C@@H]5Oc1c2[C@]45CCN3CC1CC1 |r|
Show InChI InChI=1S/C27H26N2O2/c30-22-8-7-17-13-21-19-12-18-11-16-3-1-2-4-20(16)28-24(18)26-27(19,23(17)25(22)31-26)9-10-29(21)14-15-5-6-15/h1-4,7-8,11,15,19,21,26,30H,5-6,9-10,12-14H2/t19-,21+,26-,27-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
0.430n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from delta opioid receptor in rat cerebrum membranes


Bioorg Med Chem 20: 949-61 (2012)


Article DOI: 10.1016/j.bmc.2011.11.047
BindingDB Entry DOI: 10.7270/Q2H995MX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50360143
PNG
(CHEMBL1929363)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4Cc5cc6ccccc6nc5[C@@H]5Oc1c2[C@]45CCN3CC1CC1 |r|
Show InChI InChI=1S/C27H26N2O2/c30-22-8-7-17-13-21-19-12-18-11-16-3-1-2-4-20(16)28-24(18)26-27(19,23(17)25(22)31-26)9-10-29(21)14-15-5-6-15/h1-4,7-8,11,15,19,21,26,30H,5-6,9-10,12-14H2/t19-,21+,26-,27-/m0/s1
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Article
PubMed
13n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat cerebrum membranes


Bioorg Med Chem 20: 949-61 (2012)


Article DOI: 10.1016/j.bmc.2011.11.047
BindingDB Entry DOI: 10.7270/Q2H995MX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50360143
PNG
(CHEMBL1929363)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4Cc5cc6ccccc6nc5[C@@H]5Oc1c2[C@]45CCN3CC1CC1 |r|
Show InChI InChI=1S/C27H26N2O2/c30-22-8-7-17-13-21-19-12-18-11-16-3-1-2-4-20(16)28-24(18)26-27(19,23(17)25(22)31-26)9-10-29(21)14-15-5-6-15/h1-4,7-8,11,15,19,21,26,30H,5-6,9-10,12-14H2/t19-,21+,26-,27-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
15n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69,593 from kappa opioid receptor in guinea pig cerebrum membranes


Bioorg Med Chem 20: 949-61 (2012)


Article DOI: 10.1016/j.bmc.2011.11.047
BindingDB Entry DOI: 10.7270/Q2H995MX
More data for this
Ligand-Target Pair