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3 similar compounds to monomer 50346864

Compile data set for download or QSAR
Wt: 508.4
BDBM124965
Wt: 443.5
BDBM124966
Wt: 429.5
BDBM50396015

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 124965,124966,50396015   
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))
BDBM50396015
PNG
(CHEMBL2169921)
Show SMILES N[C@@H]1C[C@H]1c1ccc(NC(=O)C(Cc2ccccc2)NC(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C26H27N3O3/c27-23-16-22(23)20-11-13-21(14-12-20)28-25(30)24(15-18-7-3-1-4-8-18)29-26(31)32-17-19-9-5-2-6-10-19/h1-14,22-24H,15-17,27H2,(H,28,30)(H,29,31)/t22-,23+,24?/m0/s1
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Article
PubMed
1.30E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human LSD1 using histone H3 peptide as substrate


Eur J Med Chem 56: 179-194 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.010
BindingDB Entry DOI: 10.7270/Q2TQ62NX
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM124965
PNG
(US8765820, 7)
Show SMILES NC1CC1c1ccc(NC(=O)C(Cc2ccccc2)NC(=O)OCc2ccc(Br)cc2)cc1
Show InChI InChI=1S/C26H26BrN3O3/c27-20-10-6-18(7-11-20)16-33-26(32)30-24(14-17-4-2-1-3-5-17)25(31)29-21-12-8-19(9-13-21)22-15-23(22)28/h1-13,22-24H,14-16,28H2,(H,29,31)(H,30,32)
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US Patent
3.30E+3n/an/an/an/an/an/a7.5n/a



Sapienza University of Rome

US Patent


Assay Description
Human recombinant MAO A and MAO B were expressed in Pichia pastoris and purified as published (Binda C, et al., Proc. Natl. Acad. Sci. USA 100: 9750-...


US Patent US8765820 (2014)


BindingDB Entry DOI: 10.7270/Q20P0XPN
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM124966
PNG
(US8765820, 12)
Show SMILES CN(C(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)c1ccc(cc1)C1CC1N
Show InChI InChI=1S/C27H29N3O3/c1-30(22-14-12-21(13-15-22)23-17-24(23)28)26(31)25(16-19-8-4-2-5-9-19)29-27(32)33-18-20-10-6-3-7-11-20/h2-15,23-25H,16-18,28H2,1H3,(H,29,32)
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US Patent
1.90E+4n/an/an/an/an/an/a7.5n/a



Sapienza University of Rome

US Patent


Assay Description
Human recombinant MAO A and MAO B were expressed in Pichia pastoris and purified as published (Binda C, et al., Proc. Natl. Acad. Sci. USA 100: 9750-...


US Patent US8765820 (2014)


BindingDB Entry DOI: 10.7270/Q20P0XPN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM124966
PNG
(US8765820, 12)
Show SMILES CN(C(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)c1ccc(cc1)C1CC1N
Show InChI InChI=1S/C27H29N3O3/c1-30(22-14-12-21(13-15-22)23-17-24(23)28)26(31)25(16-19-8-4-2-5-9-19)29-27(32)33-18-20-10-6-3-7-11-20/h2-15,23-25H,16-18,28H2,1H3,(H,29,32)
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US Patent
3.40E+4n/an/an/an/an/an/a7.5n/a



Sapienza University of Rome

US Patent


Assay Description
Human recombinant MAO A and MAO B were expressed in Pichia pastoris and purified as published (Binda C, et al., Proc. Natl. Acad. Sci. USA 100: 9750-...


US Patent US8765820 (2014)


BindingDB Entry DOI: 10.7270/Q20P0XPN
More data for this
Ligand-Target Pair