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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nociceptin receptor' and Ligand = 'BDBM50100990'   
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))
BDBM50100990
PNG
(CHEMBL3325878)
Show SMILES Cl.Cl.CN(C)[C@]1(CC[C@@H](CC1)NCCc1ccccc1)c1ccccc1 |r,wU:5.2,wD:8.9,(20.12,-18.98,;13.08,-21.67,;17.61,-17.09,;16.27,-16.32,;16.27,-14.78,;14.94,-17.09,;14.17,-18.42,;12.63,-18.43,;11.86,-17.1,;12.62,-15.77,;14.17,-15.76,;10.32,-17.1,;9.56,-18.44,;8.02,-18.45,;7.26,-19.79,;5.72,-19.79,;4.96,-21.13,;5.73,-22.46,;7.28,-22.45,;8.04,-21.11,;15.74,-18.41,;14.99,-19.76,;15.79,-21.08,;17.33,-21.05,;18.07,-19.69,;17.27,-18.37,)|
Show InChI InChI=1S/C22H30N2/c1-24(2)22(20-11-7-4-8-12-20)16-13-21(14-17-22)23-18-15-19-9-5-3-6-10-19/h3-12,21,23H,13-18H2,1-2H3/t21-,22-
PDB

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PC cid
PC sid
UniChem
Article
PubMed
7.40n/an/an/an/an/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO-K1 cells after 90 mins


ACS Med Chem Lett 5: 851-6 (2014)


Article DOI: 10.1021/ml500116x
BindingDB Entry DOI: 10.7270/Q28S4RPM
More data for this
Ligand-Target Pair