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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nociceptin receptor' and Ligand = 'BDBM50137563'   
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))
BDBM50137563
PNG
(1-Ethyl-3-((2S,6S,9aR)-6-phenyl-octahydro-quinoliz...)
Show SMILES CCn1c2ccccc2n([C@H]2CCN3[C@H](CCC[C@H]3c3ccccc3)C2)c1=O
Show InChI InChI=1S/C24H29N3O/c1-2-25-22-12-6-7-13-23(22)27(24(25)28)20-15-16-26-19(17-20)11-8-14-21(26)18-9-4-3-5-10-18/h3-7,9-10,12-13,19-21H,2,8,11,14-17H2,1H3/t19-,20+,21+/m1/s1
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PC cid
PC sid
UniChem
PubMed
535n/an/an/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Binding affinity for human nociceptin (NOP) receptor using [3H]N/OFQ as radioligand transfected into CHO cells


Bioorg Med Chem Lett 14: 181-5 (2003)


BindingDB Entry DOI: 10.7270/Q24X58BV
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50137563
PNG
(1-Ethyl-3-((2S,6S,9aR)-6-phenyl-octahydro-quinoliz...)
Show SMILES CCn1c2ccccc2n([C@H]2CCN3[C@H](CCC[C@H]3c3ccccc3)C2)c1=O
Show InChI InChI=1S/C24H29N3O/c1-2-25-22-12-6-7-13-23(22)27(24(25)28)20-15-16-26-19(17-20)11-8-14-21(26)18-9-4-3-5-10-18/h3-7,9-10,12-13,19-21H,2,8,11,14-17H2,1H3/t19-,20+,21+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



SRI International

Curated by ChEMBL




Bioorg Med Chem Lett 14: 181-5 (2003)


BindingDB Entry DOI: 10.7270/Q24X58BV
More data for this
Ligand-Target Pair