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BDBM301031 4-{2-[(3aR,8aS)-decahydropyrrolo[3,4- d]azepin-6-yl]-5-(4- fluorophenyl)pyrimidin-4- yl}benzonitrile::US10131664, Example 24

SMILES: Fc1ccc(cc1)-c1cnc(nc1-c1ccc(cc1)C#N)N1CC[C@@H]2CNC[C@@H]2CC1

InChI Key: InChIKey=OZIDSCUYBHVKLY-OYRHEFFESA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 301031   
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
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM301031
PNG
(4-{2-[(3aR,8aS)-decahydropyrrolo[3,4- d]azepin-6-y...)
Show SMILES Fc1ccc(cc1)-c1cnc(nc1-c1ccc(cc1)C#N)N1CC[C@@H]2CNC[C@@H]2CC1
Show InChI InChI=1S/C25H24FN5/c26-22-7-5-18(6-8-22)23-16-29-25(30-24(23)19-3-1-17(13-27)2-4-19)31-11-9-20-14-28-15-21(20)10-12-31/h1-8,16,20-21,28H,9-12,14-15H2/t20-,21+
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MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties ...


US Patent US10131664 (2018)

More data for this
Ligand-Target Pair