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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nociceptin receptor' and Ligand = 'BDBM50260630'   
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))
BDBM50260630
PNG
(2-(4-(6-chloro-2-(pentan-3-ylthio)-3H-benzo[d]imid...)
Show SMILES CCC(CC)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)C(C)C1
Show InChI InChI=1S/C19H29ClN4OS/c1-4-14(5-2)26-19-21-16-10-15(20)18(11-17(16)22-19)24-7-6-23(8-9-25)13(3)12-24/h10-11,13-14,25H,4-9,12H2,1-3H3,(H,21,22)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 3282-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.037
BindingDB Entry DOI: 10.7270/Q2542NDJ
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50260630
PNG
(2-(4-(6-chloro-2-(pentan-3-ylthio)-3H-benzo[d]imid...)
Show SMILES CCC(CC)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)C(C)C1
Show InChI InChI=1S/C19H29ClN4OS/c1-4-14(5-2)26-19-21-16-10-15(20)18(11-17(16)22-19)24-7-6-23(8-9-25)13(3)12-24/h10-11,13-14,25H,4-9,12H2,1-3H3,(H,21,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human ORL1 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 18: 3282-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.037
BindingDB Entry DOI: 10.7270/Q2542NDJ
More data for this
Ligand-Target Pair