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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nociceptin receptor' and Ligand = 'BDBM50311482'   
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))
BDBM50311482
PNG
(2-(1'-(4-tert-butylcyclohexyl)-2-oxospiro[benzo[d]...)
Show SMILES CNC(=O)CN1C(=O)OC2(CCN(CC2)C2CCC(CC2)C(C)(C)C)c2ccccc12 |(6.46,-42.43,;5.12,-41.66,;3.79,-42.42,;3.78,-43.96,;2.46,-41.65,;1.12,-42.42,;-.2,-41.65,;-.2,-40.11,;-1.52,-42.41,;-1.53,-43.94,;-2.87,-43.17,;-4.2,-43.94,;-4.2,-45.48,;-2.86,-46.25,;-1.52,-45.48,;-5.53,-46.25,;-6.88,-45.47,;-8.21,-46.24,;-8.21,-47.78,;-6.88,-48.55,;-5.54,-47.79,;-9.54,-48.54,;-10.87,-47.77,;-9.54,-50.08,;-9.94,-47.06,;-.2,-44.7,;-.21,-46.24,;1.13,-47.01,;2.46,-46.24,;2.46,-44.69,;1.12,-43.94,)|
Show InChI InChI=1S/C25H37N3O3/c1-24(2,3)18-9-11-19(12-10-18)27-15-13-25(14-16-27)20-7-5-6-8-21(20)28(23(30)31-25)17-22(29)26-4/h5-8,18-19H,9-17H2,1-4H3,(H,26,29)
PDB

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Similars

Article
PubMed
295n/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