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BDBM50013855 1-(4-Azido-phenyl)-8-[1-(4-chloro-phenyl)-ethyl]-1,3,8-triaza-spiro[4.5]decan-4-one::CHEMBL312046

SMILES: CC(N1CCC2(CC1)N(CNC2=O)c1ccc(cc1)N=[N+]=[N-])c1ccc(Cl)cc1

InChI Key: InChIKey=DVABHJQRZOXTRV-UHFFFAOYSA-N

Data: 3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50013855   
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))
BDBM50013855
PNG
(1-(4-Azido-phenyl)-8-[1-(4-chloro-phenyl)-ethyl]-1...)
Show SMILES CC(N1CCC2(CC1)N(CNC2=O)c1ccc(cc1)N=[N+]=[N-])c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClN6O/c1-15(16-2-4-17(22)5-3-16)27-12-10-21(11-13-27)20(29)24-14-28(21)19-8-6-18(7-9-19)25-26-23/h2-9,15H,10-14H2,1H3,(H,24,29)
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PC cid
PC sid
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Similars

PubMed
3n/an/an/an/an/an/an/an/a



Universit£ Louis Pasteur

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAGO binding to rat brain membrane Opioid receptor mu 1


J Med Chem 33: 2456-64 (1990)


BindingDB Entry DOI: 10.7270/Q21Z451M
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50013855
PNG
(1-(4-Azido-phenyl)-8-[1-(4-chloro-phenyl)-ethyl]-1...)
Show SMILES CC(N1CCC2(CC1)N(CNC2=O)c1ccc(cc1)N=[N+]=[N-])c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClN6O/c1-15(16-2-4-17(22)5-3-16)27-12-10-21(11-13-27)20(29)24-14-28(21)19-8-6-18(7-9-19)25-26-23/h2-9,15H,10-14H2,1H3,(H,24,29)
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5n/an/an/an/an/an/an/an/a



Universit£ Louis Pasteur

Curated by ChEMBL


Assay Description
Inhibition of [3H]diprenorphine binding to rat brain membrane opioid receptors;(T= total opioid receptor family)


J Med Chem 33: 2456-64 (1990)


BindingDB Entry DOI: 10.7270/Q21Z451M
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50013855
PNG
(1-(4-Azido-phenyl)-8-[1-(4-chloro-phenyl)-ethyl]-1...)
Show SMILES CC(N1CCC2(CC1)N(CNC2=O)c1ccc(cc1)N=[N+]=[N-])c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClN6O/c1-15(16-2-4-17(22)5-3-16)27-12-10-21(11-13-27)20(29)24-14-28(21)19-8-6-18(7-9-19)25-26-23/h2-9,15H,10-14H2,1H3,(H,24,29)
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PubMed
100n/an/an/an/an/an/an/an/a



Universit£ Louis Pasteur

Curated by ChEMBL


Assay Description
Opioid receptor delta 1 apparent binding constant from rat brain membranes using [3H]DADLE binding assay


J Med Chem 33: 2456-64 (1990)


BindingDB Entry DOI: 10.7270/Q21Z451M
More data for this
Ligand-Target Pair