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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Lysine-specific histone demethylase 1A' and Ligand = 'BDBM151608'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM151608
PNG
(US8987335, 9 | US9555024, 9)
Show SMILES Oc1ccccc1C(=O)NNC(=O)c1cc(ccc1F)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C18H18FN3O6S/c19-15-6-5-12(29(26,27)22-7-9-28-10-8-22)11-14(15)18(25)21-20-17(24)13-3-1-2-4-16(13)23/h1-6,11,23H,7-10H2,(H,20,24)(H,21,25)
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 13n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the LSD1 Inhibitor Screening Assay Kit (Cayman Chemical Company, Ann Arbor, Mich.; Cayman Chem...


US Patent US9555024 (2017)


BindingDB Entry DOI: 10.7270/Q21R6SH1
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM151608
PNG
(US8987335, 9 | US9555024, 9)
Show SMILES Oc1ccccc1C(=O)NNC(=O)c1cc(ccc1F)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C18H18FN3O6S/c19-15-6-5-12(29(26,27)22-7-9-28-10-8-22)11-14(15)18(25)21-20-17(24)13-3-1-2-4-16(13)23/h1-6,11,23H,7-10H2,(H,20,24)(H,21,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 13n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the LSD1 Inhibitor Screening Assay Kit (Cayman Chemical Company, Ann Arbor, Mich.; Cayman Chem...


US Patent US8987335 (2015)


BindingDB Entry DOI: 10.7270/Q2GQ6WGH
More data for this
Ligand-Target Pair