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SMILES: Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(C\C=C\c2cccc3ccccc23)CC1

InChI Key: InChIKey=XQBMIUYKELQWJM-FJEQHEBYSA-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 = 50495236   
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))
BDBM50495236
PNG
(CHEMBL3104110)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(C\C=C\c2cccc3ccccc23)CC1 |r|
Show InChI InChI=1S/C28H33N3O2/c1-20-17-24(32)18-21(2)26(20)19-27(29)28(33)31-15-13-30(14-16-31)12-6-10-23-9-5-8-22-7-3-4-11-25(22)23/h3-11,17-18,27,32H,12-16,19,29H2,1-2H3/b10-6+/t27-/m0/s1
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B.MOAD
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PC cid
PC sid
UniChem
Article
PubMed
6.40n/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))
BDBM50495236
PNG
(CHEMBL3104110)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(C\C=C\c2cccc3ccccc23)CC1 |r|
Show InChI InChI=1S/C28H33N3O2/c1-20-17-24(32)18-21(2)26(20)19-27(29)28(33)31-15-13-30(14-16-31)12-6-10-23-9-5-8-22-7-3-4-11-25(22)23/h3-11,17-18,27,32H,12-16,19,29H2,1-2H3/b10-6+/t27-/m0/s1
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PC sid
UniChem
Article
PubMed
11n/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))
BDBM50495236
PNG
(CHEMBL3104110)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(C\C=C\c2cccc3ccccc23)CC1 |r|
Show InChI InChI=1S/C28H33N3O2/c1-20-17-24(32)18-21(2)26(20)19-27(29)28(33)31-15-13-30(14-16-31)12-6-10-23-9-5-8-22-7-3-4-11-25(22)23/h3-11,17-18,27,32H,12-16,19,29H2,1-2H3/b10-6+/t27-/m0/s1
PDB

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PC cid
PC sid
UniChem
Article
PubMed
330n/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