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SMILES: CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(O)=O

InChI Key: InChIKey=CAFCSDYYXKUWSC-GOTSBHOMSA-N

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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 = 50378888   
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


(Homo sapiens (Human))
BDBM50378888
PNG
(CHEMBL1743603)
Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(O)=O |r|
Show InChI InChI=1S/C26H33N3O5/c1-16-11-20(30)12-17(2)21(16)14-23(28(3)4)26(34)29-15-19-8-6-5-7-18(19)13-22(29)25(33)27-10-9-24(31)32/h5-8,11-12,22-23,30H,9-10,13-15H2,1-4H3,(H,27,33)(H,31,32)/t22-,23-/m0/s1
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Article
PubMed
5.70n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting


Eur J Med Chem 46: 799-803 (2011)


Article DOI: 10.1016/j.ejmech.2010.12.001
BindingDB Entry DOI: 10.7270/Q2CF9R3C
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50378888
PNG
(CHEMBL1743603)
Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(O)=O |r|
Show InChI InChI=1S/C26H33N3O5/c1-16-11-20(30)12-17(2)21(16)14-23(28(3)4)26(34)29-15-19-8-6-5-7-18(19)13-22(29)25(33)27-10-9-24(31)32/h5-8,11-12,22-23,30H,9-10,13-15H2,1-4H3,(H,27,33)(H,31,32)/t22-,23-/m0/s1
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Article
PubMed
4.50E+3n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting


Eur J Med Chem 46: 799-803 (2011)


Article DOI: 10.1016/j.ejmech.2010.12.001
BindingDB Entry DOI: 10.7270/Q2CF9R3C
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50378888
PNG
(CHEMBL1743603)
Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(O)=O |r|
Show InChI InChI=1S/C26H33N3O5/c1-16-11-20(30)12-17(2)21(16)14-23(28(3)4)26(34)29-15-19-8-6-5-7-18(19)13-22(29)25(33)27-10-9-24(31)32/h5-8,11-12,22-23,30H,9-10,13-15H2,1-4H3,(H,27,33)(H,31,32)/t22-,23-/m0/s1
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting


Eur J Med Chem 46: 799-803 (2011)


Article DOI: 10.1016/j.ejmech.2010.12.001
BindingDB Entry DOI: 10.7270/Q2CF9R3C
More data for this
Ligand-Target Pair