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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 = 'BDBM50158877'   
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))
BDBM50158877
PNG
(CHEMBL3786908 | US9556170, 1)
Show SMILES Oc1ccc(Cl)cc1Nc1nc2cc(ccc2[nH]1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C17H17ClN4O4S/c18-11-1-4-16(23)15(9-11)21-17-19-13-3-2-12(10-14(13)20-17)27(24,25)22-5-7-26-8-6-22/h1-4,9-10,23H,5-8H2,(H2,19,20,21)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

US Patent
n/an/a 90n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
Inhibition of LSD activity can be determined by a variety of both in vitro and in vivo methods known to one skilled in the art. For example, enzymati...


US Patent US9556170 (2017)


BindingDB Entry DOI: 10.7270/Q2GX4DJX
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50158877
PNG
(CHEMBL3786908 | US9556170, 1)
Show SMILES Oc1ccc(Cl)cc1Nc1nc2cc(ccc2[nH]1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C17H17ClN4O4S/c18-11-1-4-16(23)15(9-11)21-17-19-13-3-2-12(10-14(13)20-17)27(24,25)22-5-7-26-8-6-22/h1-4,9-10,23H,5-8H2,(H2,19,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 9.00E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM1A using H3K4me2 and ADHP substrate assessed as inhibition of resorufin formation by peroxidase coupled enzyme ass...


J Med Chem 59: 1308-29 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01758
BindingDB Entry DOI: 10.7270/Q2MP5559
More data for this
Ligand-Target Pair