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BDBM50360147 CHEMBL1929369

SMILES: Oc1ccc2C[C@@H]3[C@@H]4Cc5cc6ccccc6nc5C[C@]4(CCN3CC3CCCC3)c2c1

InChI Key: InChIKey=YJJLLHJSPMLHJN-RFYMFKDESA-N

Data: 3 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50360147   
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


(MOUSE)
BDBM50360147
PNG
(CHEMBL1929369)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4Cc5cc6ccccc6nc5C[C@]4(CCN3CC3CCCC3)c2c1 |r,THB:24:23:7:30.4.5|
Show InChI InChI=1S/C29H32N2O/c32-23-10-9-20-15-28-25-14-22-13-21-7-3-4-8-26(21)30-27(22)17-29(25,24(20)16-23)11-12-31(28)18-19-5-1-2-6-19/h3-4,7-10,13,16,19,25,28,32H,1-2,5-6,11-12,14-15,17-18H2/t25-,28+,29+/m0/s1
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Article
PubMed
0.350n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain membranes without cerebellum


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))
BDBM50360147
PNG
(CHEMBL1929369)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4Cc5cc6ccccc6nc5C[C@]4(CCN3CC3CCCC3)c2c1 |r,THB:24:23:7:30.4.5|
Show InChI InChI=1S/C29H32N2O/c32-23-10-9-20-15-28-25-14-22-13-21-7-3-4-8-26(21)30-27(22)17-29(25,24(20)16-23)11-12-31(28)18-19-5-1-2-6-19/h3-4,7-10,13,16,19,25,28,32H,1-2,5-6,11-12,14-15,17-18H2/t25-,28+,29+/m0/s1
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3.5n/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
Mu-type opioid receptor


(MOUSE)
BDBM50360147
PNG
(CHEMBL1929369)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4Cc5cc6ccccc6nc5C[C@]4(CCN3CC3CCCC3)c2c1 |r,THB:24:23:7:30.4.5|
Show InChI InChI=1S/C29H32N2O/c32-23-10-9-20-15-28-25-14-22-13-21-7-3-4-8-26(21)30-27(22)17-29(25,24(20)16-23)11-12-31(28)18-19-5-1-2-6-19/h3-4,7-10,13,16,19,25,28,32H,1-2,5-6,11-12,14-15,17-18H2/t25-,28+,29+/m0/s1
PDB

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UniChem

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Article
PubMed
20n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in mouse whole brain membranes without cerebellum


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