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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nociceptin receptor' and Ligand = 'BDBM50296912'   
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))
BDBM50296912
PNG
((1S,3R)-N-((2-(3-chloropyridin-2-yl)-5-ethyl-1-(6-...)
Show SMILES CCc1c(CN[C@H]2CC[C@@H](F)C2)nc(-c2ncccc2Cl)n1-c1ccc(C)nc1 |r|
Show InChI InChI=1S/C22H25ClFN5/c1-3-20-19(13-27-16-8-7-15(24)11-16)28-22(21-18(23)5-4-10-25-21)29(20)17-9-6-14(2)26-12-17/h4-6,9-10,12,15-16,27H,3,7-8,11,13H2,1-2H3/t15-,16+/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 2.30n/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))
BDBM50296912
PNG
((1S,3R)-N-((2-(3-chloropyridin-2-yl)-5-ethyl-1-(6-...)
Show SMILES CCc1c(CN[C@H]2CC[C@@H](F)C2)nc(-c2ncccc2Cl)n1-c1ccc(C)nc1 |r|
Show InChI InChI=1S/C22H25ClFN5/c1-3-20-19(13-27-16-8-7-15(24)11-16)28-22(21-18(23)5-4-10-25-21)29(20)17-9-6-14(2)26-12-17/h4-6,9-10,12,15-16,27H,3,7-8,11,13H2,1-2H3/t15-,16+/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 3.20n/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