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BDBM193854 US9670210, Example 9 (1-(3-Fluorobenzyl)-4-{[(trans-2-phenylcyclopropyl)amino]methyl}piperidin-4-yl)acetonitrile

SMILES: Fc1cccc(CN2CCC(CNC3CC3c3ccccc3)(CC#N)CC2)c1

InChI Key: InChIKey=OVCGXEPMQDYOBF-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 193854   
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))
BDBM193854
PNG
(US9670210, Example 9 (1-(3-Fluorobenzyl)-4-{[(tran...)
Show SMILES Fc1cccc(CN2CCC(CNC3CC3c3ccccc3)(CC#N)CC2)c1
Show InChI InChI=1S/C24H28FN3/c25-21-8-4-5-19(15-21)17-28-13-10-24(9-12-26,11-14-28)18-27-23-16-22(23)20-6-2-1-3-7-20/h1-8,15,22-23,27H,9-11,13-14,16-18H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<100n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
LANCE LSD1/KDM1A demethylase assay-10 μL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 ...


US Patent US9670210 (2017)


BindingDB Entry DOI: 10.7270/Q2H1306F
More data for this
Ligand-Target Pair