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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nociceptin receptor' and Ligand = 'BDBM50295454'   
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))
BDBM50295454
PNG
(2-[exo-8-[Bis(2-chlorophenyl)methyl]-8-azabicyclo[...)
Show SMILES OCCN1CCCCC1C1C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:8:9:16:12.13,17:16:9.10.15:12.13|
Show InChI InChI=1S/C27H34Cl2N2O/c28-24-9-3-1-7-22(24)27(23-8-2-4-10-25(23)29)31-20-12-13-21(31)18-19(17-20)26-11-5-6-14-30(26)15-16-32/h1-4,7-10,19-21,26-27,32H,5-6,11-18H2/t20-,21-,26?/m0/s1
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PC cid
PC sid
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Article
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2n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr14-N/OFQ from human NOP receptor expressed in CHO cells by Topcount microplate scintillation counting


J Med Chem 52: 5323-9 (2009)


Article DOI: 10.1021/jm9008218
BindingDB Entry DOI: 10.7270/Q2DV1JX2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50295454
PNG
(2-[exo-8-[Bis(2-chlorophenyl)methyl]-8-azabicyclo[...)
Show SMILES OCCN1CCCCC1C1C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:8:9:16:12.13,17:16:9.10.15:12.13|
Show InChI InChI=1S/C27H34Cl2N2O/c28-24-9-3-1-7-22(24)27(23-8-2-4-10-25(23)29)31-20-12-13-21(31)18-19(17-20)26-11-5-6-14-30(26)15-16-32/h1-4,7-10,19-21,26-27,32H,5-6,11-18H2/t20-,21-,26?/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 20n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human NOP receptor expressed in CHO cells assessed as increase in SCH-221510-stimulated [35S]GTPgammaS binding in presence of GDP


J Med Chem 52: 5323-9 (2009)


Article DOI: 10.1021/jm9008218
BindingDB Entry DOI: 10.7270/Q2DV1JX2
More data for this
Ligand-Target Pair