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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nociceptin receptor' and Ligand = 'BDBM50434649'   
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))
BDBM50434649
PNG
(CHEMBL2387196)
Show SMILES CCC1C(=O)N(C2CCN(CC2)[C@@H]2CC[C@@H](CC2)C(C)C)c2ccccc12 |r,wU:12.12,15.19,(29.25,-31.07,;27.74,-31.39,;27.27,-32.86,;28.18,-34.11,;29.72,-34.11,;27.27,-35.36,;27.75,-36.83,;26.71,-37.98,;27.18,-39.43,;28.69,-39.76,;29.72,-38.62,;29.25,-37.15,;29.16,-41.23,;28.13,-42.38,;28.6,-43.84,;30.11,-44.17,;31.15,-43.02,;30.68,-41.55,;30.58,-45.64,;29.55,-46.78,;32.09,-45.96,;25.79,-34.89,;24.46,-35.65,;23.13,-34.89,;23.13,-33.34,;24.46,-32.57,;25.79,-33.34,)|
Show InChI InChI=1S/C24H36N2O/c1-4-21-22-7-5-6-8-23(22)26(24(21)27)20-13-15-25(16-14-20)19-11-9-18(10-12-19)17(2)3/h5-8,17-21H,4,9-16H2,1-3H3/t18-,19+,21?
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PC cid
PC sid
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Similars

Article
PubMed
5.20n/an/an/an/an/an/an/an/a



Astraea Therapeutics, LLC.

Curated by ChEMBL


Assay Description
Displacement of [3H] N/OFQ from human nociceptin receptor transfected in CHO cells


Bioorg Med Chem Lett 23: 3308-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.101
BindingDB Entry DOI: 10.7270/Q2T43VHN
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50434649
PNG
(CHEMBL2387196)
Show SMILES CCC1C(=O)N(C2CCN(CC2)[C@@H]2CC[C@@H](CC2)C(C)C)c2ccccc12 |r,wU:12.12,15.19,(29.25,-31.07,;27.74,-31.39,;27.27,-32.86,;28.18,-34.11,;29.72,-34.11,;27.27,-35.36,;27.75,-36.83,;26.71,-37.98,;27.18,-39.43,;28.69,-39.76,;29.72,-38.62,;29.25,-37.15,;29.16,-41.23,;28.13,-42.38,;28.6,-43.84,;30.11,-44.17,;31.15,-43.02,;30.68,-41.55,;30.58,-45.64,;29.55,-46.78,;32.09,-45.96,;25.79,-34.89,;24.46,-35.65,;23.13,-34.89,;23.13,-33.34,;24.46,-32.57,;25.79,-33.34,)|
Show InChI InChI=1S/C24H36N2O/c1-4-21-22-7-5-6-8-23(22)26(24(21)27)20-13-15-25(16-14-20)19-11-9-18(10-12-19)17(2)3/h5-8,17-21H,4,9-16H2,1-3H3/t18-,19+,21?
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 8.5n/an/an/an/a



Astraea Therapeutics, LLC.

Curated by ChEMBL


Assay Description
Agonist activity at human nociceptin receptor transfected in CHO cells assessed as stimulation of [35S]GTPgammaS binding by liquid scintillation coun...


Bioorg Med Chem Lett 23: 3308-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.101
BindingDB Entry DOI: 10.7270/Q2T43VHN
More data for this
Ligand-Target Pair