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BDBM50402018 CHEMBL2204731

SMILES: CN([C@@H]1CC[C@@]2(O)[C@H]3CC4=C(C[C@H](O)CC4)[C@@]2(CCN3CC2CC2)C1)C(=O)\C=C\c1ccoc1

InChI Key: InChIKey=VDNRQMJJQGAIOG-UDHOMVASSA-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 = 50402018   
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))
BDBM50402018
PNG
(CHEMBL2204731)
Show SMILES CN([C@@H]1CC[C@@]2(O)[C@H]3CC4=C(C[C@H](O)CC4)[C@@]2(CCN3CC2CC2)C1)C(=O)\C=C\c1ccoc1 |r,t:9|
Show InChI InChI=1S/C28H38N2O4/c1-29(26(32)7-4-20-9-13-34-18-20)22-8-10-28(33)25-14-21-5-6-23(31)15-24(21)27(28,16-22)11-12-30(25)17-19-2-3-19/h4,7,9,13,18-19,22-23,25,31,33H,2-3,5-6,8,10-12,14-17H2,1H3/b7-4+/t22-,23-,25-,27-,28-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.733n/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 membranes


Bioorg Med Chem Lett 22: 7711-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.101
BindingDB Entry DOI: 10.7270/Q22B905B
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50402018
PNG
(CHEMBL2204731)
Show SMILES CN([C@@H]1CC[C@@]2(O)[C@H]3CC4=C(C[C@H](O)CC4)[C@@]2(CCN3CC2CC2)C1)C(=O)\C=C\c1ccoc1 |r,t:9|
Show InChI InChI=1S/C28H38N2O4/c1-29(26(32)7-4-20-9-13-34-18-20)22-8-10-28(33)25-14-21-5-6-23(31)15-24(21)27(28,16-22)11-12-30(25)17-19-2-3-19/h4,7,9,13,18-19,22-23,25,31,33H,2-3,5-6,8,10-12,14-17H2,1H3/b7-4+/t22-,23-,25-,27-,28-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
47.5n/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 Lett 22: 7711-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.101
BindingDB Entry DOI: 10.7270/Q22B905B
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50402018
PNG
(CHEMBL2204731)
Show SMILES CN([C@@H]1CC[C@@]2(O)[C@H]3CC4=C(C[C@H](O)CC4)[C@@]2(CCN3CC2CC2)C1)C(=O)\C=C\c1ccoc1 |r,t:9|
Show InChI InChI=1S/C28H38N2O4/c1-29(26(32)7-4-20-9-13-34-18-20)22-8-10-28(33)25-14-21-5-6-23(31)15-24(21)27(28,16-22)11-12-30(25)17-19-2-3-19/h4,7,9,13,18-19,22-23,25,31,33H,2-3,5-6,8,10-12,14-17H2,1H3/b7-4+/t22-,23-,25-,27-,28-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
57.6n/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 Lett 22: 7711-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.101
BindingDB Entry DOI: 10.7270/Q22B905B
More data for this
Ligand-Target Pair