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Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 50402010   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50402010
PNG
(CHEMBL2205419)
Show SMILES CN([C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)C1)C(=O)\C=C\c1ccoc1 |r|
Show InChI InChI=1S/C28H34N2O4/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/h4-7,9,13,15,18-19,22,25,31,33H,2-3,8,10-12,14,16-17H2,1H3/b7-4+/t22-,25+,27+,28+/m0/s1
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PC sid
UniChem
Article
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0.163n/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
Mu-type opioid receptor


(MOUSE)
BDBM50402010
PNG
(CHEMBL2205419)
Show SMILES CN([C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)C1)C(=O)\C=C\c1ccoc1 |r|
Show InChI InChI=1S/C28H34N2O4/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/h4-7,9,13,15,18-19,22,25,31,33H,2-3,8,10-12,14,16-17H2,1H3/b7-4+/t22-,25+,27+,28+/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
0.324n/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
Delta-type opioid receptor


(MOUSE)
BDBM50402010
PNG
(CHEMBL2205419)
Show SMILES CN([C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)C1)C(=O)\C=C\c1ccoc1 |r|
Show InChI InChI=1S/C28H34N2O4/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/h4-7,9,13,15,18-19,22,25,31,33H,2-3,8,10-12,14,16-17H2,1H3/b7-4+/t22-,25+,27+,28+/m0/s1
PDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.623n/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