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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nociceptin receptor' and Ligand = 'BDBM50296930'   
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))
BDBM50296930
PNG
((1S,3R)-N-((5-(4-chlorophenyl)-1-isopropyl-4-(2-me...)
Show SMILES COCCc1nc(CN[C@H]2CC[C@@H](F)C2)n(C(C)C)c1-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C21H29ClFN3O/c1-14(2)26-20(13-24-18-9-8-17(23)12-18)25-19(10-11-27-3)21(26)15-4-6-16(22)7-5-15/h4-7,14,17-18,24H,8-13H2,1-3H3/t17-,18+/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.60n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned ORL1 receptor expressed in CHO cells assessed as inhibition of nociceptin/orphanin FQ-stimulated [35S]GTPgammaS b...


Bioorg Med Chem Lett 19: 4611-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.095
BindingDB Entry DOI: 10.7270/Q2TM7B4V
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50296930
PNG
((1S,3R)-N-((5-(4-chlorophenyl)-1-isopropyl-4-(2-me...)
Show SMILES COCCc1nc(CN[C@H]2CC[C@@H](F)C2)n(C(C)C)c1-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C21H29ClFN3O/c1-14(2)26-20(13-24-18-9-8-17(23)12-18)25-19(10-11-27-3)21(26)15-4-6-16(22)7-5-15/h4-7,14,17-18,24H,8-13H2,1-3H3/t17-,18+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.60n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-nociceptin from human ORL1 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 4611-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.095
BindingDB Entry DOI: 10.7270/Q2TM7B4V
More data for this
Ligand-Target Pair