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SMILES: O=C(NCC(N1CCOCC1)c1ccccc1)c1ccc(cc1)C1CC1NCC1CC1

InChI Key: InChIKey=HZJRRJZHMUWDRQ-UHFFFAOYSA-N

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 3 hits for monomerid = 338592   
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))
BDBM338592
PNG
(4-(trans-2- ((cyclopropylmethyl)- amino)cyclopropy...)
Show SMILES O=C(NCC(N1CCOCC1)c1ccccc1)c1ccc(cc1)C1CC1NCC1CC1
Show InChI InChI=1S/C26H33N3O2/c30-26(22-10-8-20(9-11-22)23-16-24(23)27-17-19-6-7-19)28-18-25(21-4-2-1-3-5-21)29-12-14-31-15-13-29/h1-5,8-11,19,23-25,27H,6-7,12-18H2,(H,28,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
A test compound dissolved in 2.5% DMSO was added by 4 μL to 3 μL reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing...


US Patent US9751885 (2017)


BindingDB Entry DOI: 10.7270/Q22V2J7C
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM338592
PNG
(4-(trans-2- ((cyclopropylmethyl)- amino)cyclopropy...)
Show SMILES O=C(NCC(N1CCOCC1)c1ccccc1)c1ccc(cc1)C1CC1NCC1CC1
Show InChI InChI=1S/C26H33N3O2/c30-26(22-10-8-20(9-11-22)23-16-24(23)27-17-19-6-7-19)28-18-25(21-4-2-1-3-5-21)29-12-14-31-15-13-29/h1-5,8-11,19,23-25,27H,6-7,12-18H2,(H,28,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The MAO-B inhibitory activity evaluation described below followed the protocol of MAO-Glo (registered trademark) Assay of Promega KK.A test compound ...


US Patent US9751885 (2017)


BindingDB Entry DOI: 10.7270/Q22V2J7C
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM338592
PNG
(4-(trans-2- ((cyclopropylmethyl)- amino)cyclopropy...)
Show SMILES O=C(NCC(N1CCOCC1)c1ccccc1)c1ccc(cc1)C1CC1NCC1CC1
Show InChI InChI=1S/C26H33N3O2/c30-26(22-10-8-20(9-11-22)23-16-24(23)27-17-19-6-7-19)28-18-25(21-4-2-1-3-5-21)29-12-14-31-15-13-29/h1-5,8-11,19,23-25,27H,6-7,12-18H2,(H,28,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
A test compound dissolved in 4% DMSO was added by 12.5 μL to 25 μL reaction solution (100 mM HEPES (pH 7.5), 5% glycerol) containing 400 ng...


US Patent US9751885 (2017)


BindingDB Entry DOI: 10.7270/Q22V2J7C
More data for this
Ligand-Target Pair