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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nociceptin receptor' and Ligand = 'BDBM50311483'   
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))
BDBM50311483
PNG
(2-[3-(1-Cycloheptyl-piperidin-4-yl)-2,2-dioxo-2,3-...)
Show SMILES CNC(=O)CN1c2ccccc2N(C2CCN(CC2)C2CCCCCC2)S1(=O)=O
Show InChI InChI=1S/C21H32N4O3S/c1-22-21(26)16-24-19-10-6-7-11-20(19)25(29(24,27)28)18-12-14-23(15-13-18)17-8-4-2-3-5-9-17/h6-7,10-11,17-18H,2-5,8-9,12-16H2,1H3,(H,22,26)
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PC cid
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Similars

Article
PubMed
111n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 6441-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.028
BindingDB Entry DOI: 10.7270/Q21J99W7
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50311483
PNG
(2-[3-(1-Cycloheptyl-piperidin-4-yl)-2,2-dioxo-2,3-...)
Show SMILES CNC(=O)CN1c2ccccc2N(C2CCN(CC2)C2CCCCCC2)S1(=O)=O
Show InChI InChI=1S/C21H32N4O3S/c1-22-21(26)16-24-19-10-6-7-11-20(19)25(29(24,27)28)18-12-14-23(15-13-18)17-8-4-2-3-5-9-17/h6-7,10-11,17-18H,2-5,8-9,12-16H2,1H3,(H,22,26)
PDB

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KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 339n/an/an/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 inhibition of forskolin-stimulated cAMP production after 2 hrs


Bioorg Med Chem Lett 19: 6441-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.028
BindingDB Entry DOI: 10.7270/Q21J99W7
More data for this
Ligand-Target Pair