BindingDB logo
myBDB logout

BDBM194686 US9670210, Example 72 1-{[4-[(benzyloxy)methyl]-4-({[(1R,2S)-2-phenylcyclopropyl]amino}methyl)piperidin-1-yl]methyl}cyclopropanecarboxylic acid

SMILES: OC(=O)C1(CN2CCC(CN[C@@H]3CC3c3ccccc3)(COCc3ccccc3)CC2)CC1

InChI Key: InChIKey=GXEBZZCIQAQLMQ-WUBHUQEYSA-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 = 194686   
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))
BDBM194686
PNG
(US9670210, Example 72 1-{[4-[(benzyloxy)methyl]-4-...)
Show SMILES OC(=O)C1(CN2CCC(CN[C@@H]3CC3c3ccccc3)(COCc3ccccc3)CC2)CC1
Show InChI InChI=1S/C28H36N2O3/c31-26(32)28(11-12-28)20-30-15-13-27(14-16-30,21-33-18-22-7-3-1-4-8-22)19-29-25-17-24(25)23-9-5-2-6-10-23/h1-10,24-25,29H,11-21H2,(H,31,32)/t24?,25-/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