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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nociceptin receptor' and Ligand = 'BDBM50311476'   
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))
BDBM50311476
PNG
(2-(3-(1-((1r,4r)-4-isopropylcyclohexyl)piperidin-4...)
Show SMILES CNC(=O)Cn1c2ccccc2n(C2CCN(CC2)[C@H]2CC[C@@H](CC2)C(C)C)c1=O |r,wU:22.27,wD:19.20,(8.4,-11.09,;6.86,-11.09,;6.09,-12.42,;6.86,-13.76,;4.55,-12.43,;3.78,-13.76,;4.11,-15.26,;5.45,-16.02,;5.46,-17.57,;4.12,-18.34,;2.79,-17.57,;2.79,-16.03,;1.64,-15.01,;.32,-15.79,;-1.02,-15.03,;-2.34,-15.8,;-2.34,-17.34,;-1,-18.11,;.34,-17.33,;-3.67,-18.12,;-5.01,-17.35,;-6.33,-18.12,;-6.34,-19.66,;-5,-20.43,;-3.66,-19.66,;-7.67,-20.43,;-9,-19.66,;-7.67,-21.97,;2.26,-13.61,;1.48,-12.28,)|
Show InChI InChI=1S/C24H36N4O2/c1-17(2)18-8-10-19(11-9-18)26-14-12-20(13-15-26)28-22-7-5-4-6-21(22)27(24(28)30)16-23(29)25-3/h4-7,17-20H,8-16H2,1-3H3,(H,25,29)/t18-,19-
PDB

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PC cid
PC sid
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Article
PubMed
31n/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))
BDBM50311476
PNG
(2-(3-(1-((1r,4r)-4-isopropylcyclohexyl)piperidin-4...)
Show SMILES CNC(=O)Cn1c2ccccc2n(C2CCN(CC2)[C@H]2CC[C@@H](CC2)C(C)C)c1=O |r,wU:22.27,wD:19.20,(8.4,-11.09,;6.86,-11.09,;6.09,-12.42,;6.86,-13.76,;4.55,-12.43,;3.78,-13.76,;4.11,-15.26,;5.45,-16.02,;5.46,-17.57,;4.12,-18.34,;2.79,-17.57,;2.79,-16.03,;1.64,-15.01,;.32,-15.79,;-1.02,-15.03,;-2.34,-15.8,;-2.34,-17.34,;-1,-18.11,;.34,-17.33,;-3.67,-18.12,;-5.01,-17.35,;-6.33,-18.12,;-6.34,-19.66,;-5,-20.43,;-3.66,-19.66,;-7.67,-20.43,;-9,-19.66,;-7.67,-21.97,;2.26,-13.61,;1.48,-12.28,)|
Show InChI InChI=1S/C24H36N4O2/c1-17(2)18-8-10-19(11-9-18)26-14-12-20(13-15-26)28-22-7-5-4-6-21(22)27(24(28)30)16-23(29)25-3/h4-7,17-20H,8-16H2,1-3H3,(H,25,29)/t18-,19-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 59n/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