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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nociceptin receptor' and Ligand = 'BDBM469999'   
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))
BDBM469999
PNG
(CIS-2-[1-(Cyclobutyl-methyl)-8-dimethylamino-2-oxo...)
Show SMILES CN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3cncnc3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.22,3.2,(-4.1,21.01,;-5.59,21.41,;-5.99,22.9,;-6.68,20.32,;-7.45,18.99,;-8.99,18.99,;-9.76,20.32,;-10.67,21.57,;-12.13,21.09,;-13.22,22.18,;-14.71,21.78,;-15.11,20.3,;-15.8,22.87,;-17.28,22.47,;-17.68,20.99,;-19.17,20.59,;-20.26,21.68,;-19.86,23.16,;-18.37,23.56,;-12.13,19.55,;-13.46,18.78,;-10.67,19.08,;-9.9,17.74,;-10.67,16.41,;-12.15,16.01,;-11.76,14.52,;-10.27,14.92,;-8.99,21.66,;-7.45,21.66,;-5.59,19.23,;-5.99,17.75,;-4.9,16.66,;-3.41,17.06,;-3.02,18.54,;-4.1,19.63,)|
Show InChI InChI=1S/C27H36N6O2/c1-31(2)27(22-9-4-3-5-10-22)13-11-26(12-14-27)19-32(25(35)33(26)17-21-7-6-8-21)18-24(34)30-23-15-28-20-29-16-23/h3-5,9-10,15-16,20-21H,6-8,11-14,17-19H2,1-2H3,(H,30,34)/t26-,27+
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US Patent
0.5n/an/an/an/an/an/an/an/a



GRÜNENTHAL GMBH

US Patent


Assay Description
The hNOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buffer 50 mM TRIS-HCl, 10 mM M...


US Patent US10807989 (2020)


BindingDB Entry DOI: 10.7270/Q2222XTM
More data for this
Ligand-Target Pair