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BDBM50402475 CHEMBL2204026

SMILES: Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35O)O[C@H]2CO[C@H]3CO[C@@H]1N23

InChI Key: InChIKey=RLOWKBDVAAZKDU-VHEHZTHKSA-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 = 50402475   
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
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50402475
PNG
(CHEMBL2204026)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35O)O[C@H]2CO[C@H]3CO[C@@H]1N23 |r|
Show InChI InChI=1S/C25H30N2O6/c28-15-4-3-14-9-16-25(29)6-5-24(22-27-17(11-31-22)30-12-18(27)33-24)21-23(25,19(14)20(15)32-21)7-8-26(16)10-13-1-2-13/h3-4,13,16-18,21-22,28-29H,1-2,5-12H2/t16-,17+,18+,21-,22+,23+,24+,25-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.95n/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 cerebellum


Bioorg Med Chem Lett 22: 7551-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.023
BindingDB Entry DOI: 10.7270/Q29P32T1
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50402475
PNG
(CHEMBL2204026)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35O)O[C@H]2CO[C@H]3CO[C@@H]1N23 |r|
Show InChI InChI=1S/C25H30N2O6/c28-15-4-3-14-9-16-25(29)6-5-24(22-27-17(11-31-22)30-12-18(27)33-24)21-23(25,19(14)20(15)32-21)7-8-26(16)10-13-1-2-13/h3-4,13,16-18,21-22,28-29H,1-2,5-12H2/t16-,17+,18+,21-,22+,23+,24+,25-/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.85n/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 without cerebellum


Bioorg Med Chem Lett 22: 7551-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.023
BindingDB Entry DOI: 10.7270/Q29P32T1
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50402475
PNG
(CHEMBL2204026)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35O)O[C@H]2CO[C@H]3CO[C@@H]1N23 |r|
Show InChI InChI=1S/C25H30N2O6/c28-15-4-3-14-9-16-25(29)6-5-24(22-27-17(11-31-22)30-12-18(27)33-24)21-23(25,19(14)20(15)32-21)7-8-26(16)10-13-1-2-13/h3-4,13,16-18,21-22,28-29H,1-2,5-12H2/t16-,17+,18+,21-,22+,23+,24+,25-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
78.6n/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 without cerebellum


Bioorg Med Chem Lett 22: 7551-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.023
BindingDB Entry DOI: 10.7270/Q29P32T1
More data for this
Ligand-Target Pair