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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Nociceptin receptor' and Ligand = 'BDBM21844'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nociceptin receptor


(Homo sapiens (Human))
BDBM21844
PNG
(8-[(1R,3aR)-2,3,3a,4,5,6-hexahydro-1H-phenalen-1-y...)
Show SMILES [H][C@@]12CCCc3cccc([C@@H](CC1)N1CCC4(CC1)N(CNC4=O)c1ccccc1)c23 |r|
Show InChI InChI=1S/C26H31N3O/c30-25-26(29(18-27-25)21-9-2-1-3-10-21)14-16-28(17-15-26)23-13-12-20-7-4-6-19-8-5-11-22(23)24(19)20/h1-3,5,8-11,20,23H,4,6-7,12-18H2,(H,27,30)/t20-,23-/m1/s1
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Article
PubMed
0.390 -53.2n/an/an/an/an/a7.422



Istituto Superiore di Sanita



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


J Med Chem 51: 1058-62 (2008)


Article DOI: 10.1021/jm7009606
BindingDB Entry DOI: 10.7270/Q2HT2MMT
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM21844
PNG
(8-[(1R,3aR)-2,3,3a,4,5,6-hexahydro-1H-phenalen-1-y...)
Show SMILES [H][C@@]12CCCc3cccc([C@@H](CC1)N1CCC4(CC1)N(CNC4=O)c1ccccc1)c23 |r|
Show InChI InChI=1S/C26H31N3O/c30-25-26(29(18-27-25)21-9-2-1-3-10-21)14-16-28(17-15-26)23-13-12-20-7-4-6-19-8-5-11-22(23)24(19)20/h1-3,5,8-11,20,23H,4,6-7,12-18H2,(H,27,30)/t20-,23-/m1/s1
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0.390n/an/an/an/an/an/an/an/a



Astraea Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity to human nociceptin opioid receptor


J Med Chem 59: 7011-28 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01499
BindingDB Entry DOI: 10.7270/Q2057KDD
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM21844
PNG
(8-[(1R,3aR)-2,3,3a,4,5,6-hexahydro-1H-phenalen-1-y...)
Show SMILES [H][C@@]12CCCc3cccc([C@@H](CC1)N1CCC4(CC1)N(CNC4=O)c1ccccc1)c23 |r|
Show InChI InChI=1S/C26H31N3O/c30-25-26(29(18-27-25)21-9-2-1-3-10-21)14-16-28(17-15-26)23-13-12-20-7-4-6-19-8-5-11-22(23)24(19)20/h1-3,5,8-11,20,23H,4,6-7,12-18H2,(H,27,30)/t20-,23-/m1/s1
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n/an/a 4.40n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-nociceptin from human NOP receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
BindingDB Entry DOI: 10.7270/Q2NK3FBC
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM21844
PNG
(8-[(1R,3aR)-2,3,3a,4,5,6-hexahydro-1H-phenalen-1-y...)
Show SMILES [H][C@@]12CCCc3cccc([C@@H](CC1)N1CCC4(CC1)N(CNC4=O)c1ccccc1)c23 |r|
Show InChI InChI=1S/C26H31N3O/c30-25-26(29(18-27-25)21-9-2-1-3-10-21)14-16-28(17-15-26)23-13-12-20-7-4-6-19-8-5-11-22(23)24(19)20/h1-3,5,8-11,20,23H,4,6-7,12-18H2,(H,27,30)/t20-,23-/m1/s1
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n/an/an/an/a 39n/an/an/an/a



Astraea Therapeutics

Curated by ChEMBL


Assay Description
Agonist activity at human nociceptin opioid receptor by GTPgamma(35)S binding assay


J Med Chem 59: 7011-28 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01499
BindingDB Entry DOI: 10.7270/Q2057KDD
More data for this
Ligand-Target Pair