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BDBM50402466 CHEMBL2204036

SMILES: CC(C)CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@]41O[C@@H]2N3[C@@H](OC2(C)C)C(C)(C)O[C@@H]13)ccc5O

InChI Key: InChIKey=WNRVWAVTBCCYGL-XAMIVDPDSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50402466   
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
Mu-type opioid receptor


(MOUSE)
BDBM50402466
PNG
(CHEMBL2204036)
Show SMILES CC(C)CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@]41O[C@@H]2N3[C@@H](OC2(C)C)C(C)(C)O[C@@H]13)ccc5O |r|
Show InChI InChI=1S/C29H40N2O6/c1-15(2)14-30-12-11-27-19-16-7-8-17(32)20(19)34-21(27)28(9-10-29(27,33)18(30)13-16)24-31-22(25(3,4)36-24)35-26(5,6)23(31)37-28/h7-8,15,18,21-24,32-33H,9-14H2,1-6H3/t18-,21-,22+,23+,24+,27+,28+,29-/m1/s1
PDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
134n/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)
BDBM50402466
PNG
(CHEMBL2204036)
Show SMILES CC(C)CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@]41O[C@@H]2N3[C@@H](OC2(C)C)C(C)(C)O[C@@H]13)ccc5O |r|
Show InChI InChI=1S/C29H40N2O6/c1-15(2)14-30-12-11-27-19-16-7-8-17(32)20(19)34-21(27)28(9-10-29(27,33)18(30)13-16)24-31-22(25(3,4)36-24)35-26(5,6)23(31)37-28/h7-8,15,18,21-24,32-33H,9-14H2,1-6H3/t18-,21-,22+,23+,24+,27+,28+,29-/m1/s1
PDB

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UniProtKB/SwissProt

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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
541n/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
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50402466
PNG
(CHEMBL2204036)
Show SMILES CC(C)CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@]41O[C@@H]2N3[C@@H](OC2(C)C)C(C)(C)O[C@@H]13)ccc5O |r|
Show InChI InChI=1S/C29H40N2O6/c1-15(2)14-30-12-11-27-19-16-7-8-17(32)20(19)34-21(27)28(9-10-29(27,33)18(30)13-16)24-31-22(25(3,4)36-24)35-26(5,6)23(31)37-28/h7-8,15,18,21-24,32-33H,9-14H2,1-6H3/t18-,21-,22+,23+,24+,27+,28+,29-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+3n/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