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BDBM50296591 (1S,3R)-N-((5-(3,5-difluorophenyl)-4-methyl-1-(2-(methylsulfonyl)ethyl)-1H-pyrazol-3-yl)methyl)-3-fluorocyclopentanamine::CHEMBL560469

SMILES: Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(CCS(C)(=O)=O)c1-c1cc(F)cc(F)c1

InChI Key: InChIKey=QNVXIQBQYKFRNS-PBHICJAKSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50296591   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nociceptin receptor


(Homo sapiens (Human))
BDBM50296591
PNG
((1S,3R)-N-((5-(3,5-difluorophenyl)-4-methyl-1-(2-(...)
Show SMILES Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(CCS(C)(=O)=O)c1-c1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C19H24F3N3O2S/c1-12-18(11-23-17-4-3-14(20)10-17)24-25(5-6-28(2,26)27)19(12)13-7-15(21)9-16(22)8-13/h7-9,14,17,23H,3-6,10-11H2,1-2H3/t14-,17+/m1/s1
PDB

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Similars

Article
PubMed
n/an/a 33n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-NC/OFQ from ORL1 receptor


Bioorg Med Chem Lett 19: 4729-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.051
BindingDB Entry DOI: 10.7270/Q2H9958F
More data for this
Ligand-Target Pair