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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nociceptin receptor' and Ligand = 'BDBM50296581'   
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))
BDBM50296581
PNG
((1S,3R)-N-((1-ethyl-5-(5-fluoro-6-methylpyridin-3-...)
Show SMILES CCn1nc(CN[C@H]2CC[C@@H](F)C2)c(C)c1-c1cnc(C)c(F)c1 |r|
Show InChI InChI=1S/C18H24F2N4/c1-4-24-18(13-7-16(20)12(3)21-9-13)11(2)17(23-24)10-22-15-6-5-14(19)8-15/h7,9,14-15,22H,4-6,8,10H2,1-3H3/t14-,15+/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 0.610n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-NC/OFQ from ORL1 receptor


Bioorg Med Chem Lett 19: 4729-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.051
BindingDB Entry DOI: 10.7270/Q2H9958F
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50296581
PNG
((1S,3R)-N-((1-ethyl-5-(5-fluoro-6-methylpyridin-3-...)
Show SMILES CCn1nc(CN[C@H]2CC[C@@H](F)C2)c(C)c1-c1cnc(C)c(F)c1 |r|
Show InChI InChI=1S/C18H24F2N4/c1-4-24-18(13-7-16(20)12(3)21-9-13)11(2)17(23-24)10-22-15-6-5-14(19)8-15/h7,9,14-15,22H,4-6,8,10H2,1-3H3/t14-,15+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-NC/OFQ from ORL1 receptor


Bioorg Med Chem Lett 19: 4729-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.051
BindingDB Entry DOI: 10.7270/Q2H9958F
More data for this
Ligand-Target Pair