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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 = 'BDBM153271'   
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))
BDBM153271
PNG
(XZ09)
Show SMILES Cc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(cc2)-c2ccccc2)cc1Cl
Show InChI InChI=1S/C25H22ClNO4/c1-17-7-12-21(15-22(17)26)27-24(29)13-14-25(30)31-16-23(28)20-10-8-19(9-11-20)18-5-3-2-4-6-18/h2-12,15H,13-14,16H2,1H3,(H,27,29)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.41E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal KDM1A (151 to 852 residues) using H3 (l to 21 residues)-K4me2 peptide substrate preincubated for 15 mins followed by s...


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
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM153271
PNG
(XZ09)
Show SMILES Cc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(cc2)-c2ccccc2)cc1Cl
Show InChI InChI=1S/C25H22ClNO4/c1-17-7-12-21(15-22(17)26)27-24(29)13-14-25(30)31-16-23(28)20-10-8-19(9-11-20)18-5-3-2-4-6-18/h2-12,15H,13-14,16H2,1H3,(H,27,29)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.41E+3n/an/an/an/a7.525



China Pharmaceutical University



Assay Description
Briefly, the compounds in DMSO were added into the LSD1 in the reaction buffer consisting of 50 mM Tris¿HCl, pH 7.5, and 1% DMSO, using Acoustic Tech...


Chem Biol Drug Des 85: 659-71 (2015)


Article DOI: 10.1111/cbdd.12461
BindingDB Entry DOI: 10.7270/Q2GF0S73
More data for this
Ligand-Target Pair