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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Lysine-specific demethylase 5A' and Ligand = 'BDBM50158826'   
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 demethylase 5A


(Homo sapiens (Human))
BDBM50158826
PNG
(CHEMBL3786862)
Show SMILES O=c1c2CCCCc2[nH]c2c(cnn12)C#N
Show InChI InChI=1S/C11H10N4O/c12-5-7-6-13-15-10(7)14-9-4-2-1-3-8(9)11(15)16/h6,14H,1-4H2
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Article
PubMed
n/an/a 878n/an/an/an/an/an/a



Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin) using ART(Kme3)QTARKSTGGKAPRKQLA-NovaTagPEG-biotin/1 uM 2-OG as substrate/co-factor by TR-FRET assay


Bioorg Med Chem Lett 26: 4350-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.026
BindingDB Entry DOI: 10.7270/Q2MW2MNW
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50158826
PNG
(CHEMBL3786862)
Show SMILES O=c1c2CCCCc2[nH]c2c(cnn12)C#N
Show InChI InChI=1S/C11H10N4O/c12-5-7-6-13-15-10(7)14-9-4-2-1-3-8(9)11(15)16/h6,14H,1-4H2
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 878n/an/an/an/an/an/a



Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin) using ART(Kme3)QTARKSTGGKAPRKQLA-NovaTagPEG-biotin/1 uM 2-OG as substrate/co-factor by TR-FRET assay


Bioorg Med Chem Lett 26: 4350-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.026
BindingDB Entry DOI: 10.7270/Q2MW2MNW
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50158826
PNG
(CHEMBL3786862)
Show SMILES O=c1c2CCCCc2[nH]c2c(cnn12)C#N
Show InChI InChI=1S/C11H10N4O/c12-5-7-6-13-15-10(7)14-9-4-2-1-3-8(9)11(15)16/h6,14H,1-4H2
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length FLAG-tagged KDM5A (unknown origin) expressed in sf9 cells using biotin-H3K4me3 (1 to 21 residues as substrate p...


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