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BDBM194201 US9670210, Example 35 1-{[4-(methoxymethyl)-4-({[(1R,2S)-2-phenylcyclopropyl]amino}methyl)piperidin-1-yl]methyl}cyclopropanecarboxylic acid

SMILES: COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC2(CC2)C(O)=O)CC1

InChI Key: InChIKey=WXVYOBVVDHYKDR-MUMRKEEXSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 194201   
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))
BDBM194201
PNG
(US9670210, Example 35 1-{[4-(methoxymethyl)-4-({[(...)
Show SMILES COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC2(CC2)C(O)=O)CC1
Show InChI InChI=1S/C22H32N2O3/c1-27-16-21(14-23-19-13-18(19)17-5-3-2-4-6-17)9-11-24(12-10-21)15-22(7-8-22)20(25)26/h2-6,18-19,23H,7-16H2,1H3,(H,25,26)/t18?,19-/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/a7.5n/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