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SMILES: Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(CCC(c2ccccc2)c2ccccc2)CC1

InChI Key: InChIKey=NSDOLJZXPOIJLJ-LJAQVGFWSA-N

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 = 50495235   
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


(Rattus norvegicus (rat))
BDBM50495235
PNG
(CHEMBL3104099)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(CCC(c2ccccc2)c2ccccc2)CC1 |r|
Show InChI InChI=1S/C30H37N3O2/c1-22-19-26(34)20-23(2)28(22)21-29(31)30(35)33-17-15-32(16-18-33)14-13-27(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-12,19-20,27,29,34H,13-18,21,31H2,1-2H3/t29-/m0/s1
PDB

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B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
1.10n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cell membranes after 1 hr by liquid scintillation counting analysis


Bioorg Med Chem Lett 24: 548-51 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.021
BindingDB Entry DOI: 10.7270/Q2TH8QNG
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50495235
PNG
(CHEMBL3104099)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(CCC(c2ccccc2)c2ccccc2)CC1 |r|
Show InChI InChI=1S/C30H37N3O2/c1-22-19-26(34)20-23(2)28(22)21-29(31)30(35)33-17-15-32(16-18-33)14-13-27(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-12,19-20,27,29,34H,13-18,21,31H2,1-2H3/t29-/m0/s1
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PC sid
UniChem
Article
PubMed
21n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat delta opioid receptor expressed in rat C6 cell membranes after 1 hr by liquid scintillation counting analy...


Bioorg Med Chem Lett 24: 548-51 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.021
BindingDB Entry DOI: 10.7270/Q2TH8QNG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50495235
PNG
(CHEMBL3104099)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(CCC(c2ccccc2)c2ccccc2)CC1 |r|
Show InChI InChI=1S/C30H37N3O2/c1-22-19-26(34)20-23(2)28(22)21-29(31)30(35)33-17-15-32(16-18-33)14-13-27(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-12,19-20,27,29,34H,13-18,21,31H2,1-2H3/t29-/m0/s1
PDB

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GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
150n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes after 1 hr by liquid scintillation counting analys...


Bioorg Med Chem Lett 24: 548-51 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.021
BindingDB Entry DOI: 10.7270/Q2TH8QNG
More data for this
Ligand-Target Pair