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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 = 'BDBM50241508'   
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))
BDBM50241508
PNG
(CHEMBL4102632)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N1CC[C@H](N)C1)c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C20H22N4O3S/c1-15-2-8-19(9-3-15)28(26,27)24(18-6-4-16(12-21)5-7-18)14-20(25)23-11-10-17(22)13-23/h2-9,17H,10-11,13-14,22H2,1H3/t17-/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.27E+4n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of N-terminal truncated human LSD1 (151 to 852 residues) expressed in Escherichia coli after 30 mins using histone H3(1-21)K4(Me1) biotin ...


J Med Chem 60: 7984-7999 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00462
BindingDB Entry DOI: 10.7270/Q2M32XX8
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50241508
PNG
(CHEMBL4102632)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N1CC[C@H](N)C1)c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C20H22N4O3S/c1-15-2-8-19(9-3-15)28(26,27)24(18-6-4-16(12-21)5-7-18)14-20(25)23-11-10-17(22)13-23/h2-9,17H,10-11,13-14,22H2,1H3/t17-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/a 4.70E+3n/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Binding affinity to LSD1 (unknown origin) by SPR analysis


J Med Chem 60: 7984-7999 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00462
BindingDB Entry DOI: 10.7270/Q2M32XX8
More data for this
Ligand-Target Pair