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BDBM194714 US10174030, Example 100::US9670210, Example 100 (trans-4-{[4-(methoxymethyl)-4-({[(1R,2S)-2-phenylcyclopropyl]amino}methyl)piperidin-1-yl]carbonyl}cyclohexyl)methanol

SMILES: COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)C(=O)[C@H]1CC[C@H](CO)CC1

InChI Key: InChIKey=DGZISEXGDODLKG-AGXQJBSZSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 194714   
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))
BDBM194714
PNG
(US10174030, Example 100 | US9670210, Example 100 (...)
Show SMILES COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)C(=O)[C@H]1CC[C@H](CO)CC1
Show InChI InChI=1S/C25H38N2O3/c1-30-18-25(17-26-23-15-22(23)20-5-3-2-4-6-20)11-13-27(14-12-25)24(29)21-9-7-19(16-28)8-10-21/h2-6,19,21-23,26,28H,7-18H2,1H3/t19-,21-,22?,23-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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 US10174030 (2019)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM194714
PNG
(US10174030, Example 100 | US9670210, Example 100 (...)
Show SMILES COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)C(=O)[C@H]1CC[C@H](CO)CC1
Show InChI InChI=1S/C25H38N2O3/c1-30-18-25(17-26-23-15-22(23)20-5-3-2-4-6-20)11-13-27(14-12-25)24(29)21-9-7-19(16-28)8-10-21/h2-6,19,21-23,26,28H,7-18H2,1H3/t19-,21-,22?,23-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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