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SMILES: [#6]-c1cc(-[#8])cc(-[#6])c1-[#6]-[#6@H](-[#7])-[#6](=O)-[#7]-1-[#6]-c2ccccc2-[#6]-[#6@H]-1-[#6]\[#7]=[#6](/[#7])-[#7]

InChI Key: InChIKey=FQWUCVNQAHXSHM-PXNSSMCTSA-N

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50101626   
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))
BDBM50101626
PNG
(CHEMBL309236 | N-{2-[2-Amino-3-(4-hydroxy-2,6-dime...)
Show SMILES [#6]-c1cc(-[#8])cc(-[#6])c1-[#6]-[#6@H](-[#7])-[#6](=O)-[#7]-1-[#6]-c2ccccc2-[#6]-[#6@H]-1-[#6]\[#7]=[#6](/[#7])-[#7]
Show InChI InChI=1S/C22H29N5O2/c1-13-7-18(28)8-14(2)19(13)10-20(23)21(29)27-12-16-6-4-3-5-15(16)9-17(27)11-26-22(24)25/h3-8,17,20,28H,9-12,23H2,1-2H3,(H4,24,25,26)/t17-,20-/m0/s1
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PC cid
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n/an/a 3.20n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity at cloned human delta-opioid receptor


J Med Chem 44: 2387-90 (2001)


BindingDB Entry DOI: 10.7270/Q25B01RW
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50101626
PNG
(CHEMBL309236 | N-{2-[2-Amino-3-(4-hydroxy-2,6-dime...)
Show SMILES [#6]-c1cc(-[#8])cc(-[#6])c1-[#6]-[#6@H](-[#7])-[#6](=O)-[#7]-1-[#6]-c2ccccc2-[#6]-[#6@H]-1-[#6]\[#7]=[#6](/[#7])-[#7]
Show InChI InChI=1S/C22H29N5O2/c1-13-7-18(28)8-14(2)19(13)10-20(23)21(29)27-12-16-6-4-3-5-15(16)9-17(27)11-26-22(24)25/h3-8,17,20,28H,9-12,23H2,1-2H3,(H4,24,25,26)/t17-,20-/m0/s1
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PC sid
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PubMed
n/an/a 345n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for opioid receptor kappa 1


J Med Chem 44: 2387-90 (2001)


BindingDB Entry DOI: 10.7270/Q25B01RW
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50101626
PNG
(CHEMBL309236 | N-{2-[2-Amino-3-(4-hydroxy-2,6-dime...)
Show SMILES [#6]-c1cc(-[#8])cc(-[#6])c1-[#6]-[#6@H](-[#7])-[#6](=O)-[#7]-1-[#6]-c2ccccc2-[#6]-[#6@H]-1-[#6]\[#7]=[#6](/[#7])-[#7]
Show InChI InChI=1S/C22H29N5O2/c1-13-7-18(28)8-14(2)19(13)10-20(23)21(29)27-12-16-6-4-3-5-15(16)9-17(27)11-26-22(24)25/h3-8,17,20,28H,9-12,23H2,1-2H3,(H4,24,25,26)/t17-,20-/m0/s1
PDB

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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 13n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for mu-opioid receptor


J Med Chem 44: 2387-90 (2001)


BindingDB Entry DOI: 10.7270/Q25B01RW
More data for this
Ligand-Target Pair