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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nociceptin receptor' and Ligand = 'BDBM469419'   
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))
BDBM469419
PNG
(US10807988, Example SC_3063 | cis-5-[1-[(1-Cyano-c...)
Show SMILES CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2(CCC2)C#N)c2ccc(nc2)C#N)CC1)c1ccccc1 |r,wU:6.11,3.2,(4.15,11.34,;4.92,10,;6.46,10,;4.15,8.67,;3.38,7.34,;1.84,7.34,;1.07,8.67,;.17,9.92,;-1.3,9.44,;-1.3,7.9,;-2.54,6.99,;.17,7.42,;.64,5.96,;-.39,4.81,;-1.93,4.81,;-1.93,3.27,;-.39,3.27,;.95,4.04,;2.28,3.27,;-2.39,10.53,;-1.99,12.02,;-3.08,13.1,;-4.56,12.71,;-4.96,11.22,;-3.87,10.13,;-5.9,13.48,;-7.23,14.25,;1.84,10,;3.38,10,;4.92,7.34,;4.15,6,;4.92,4.67,;6.46,4.67,;7.23,6,;6.46,7.34,)|
Show InChI InChI=1S/C28H32N6O/c1-32(2)28(22-7-4-3-5-8-22)15-13-27(14-16-28)21-33(24-10-9-23(17-29)31-18-24)25(35)34(27)20-26(19-30)11-6-12-26/h3-5,7-10,18H,6,11-16,20-21H2,1-2H3/t27-,28+
PDB

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US Patent
0.700n/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 US10807988 (2020)


BindingDB Entry DOI: 10.7270/Q25Q5060
More data for this
Ligand-Target Pair