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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Lysine-specific demethylase 3A' and Ligand = 'BDBM26113'   
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 3A


(Homo sapiens (Human))
BDBM26113
PNG
(2,4 PDCA | cid_10365 | pyridine carboxylate, 6a | ...)
Show SMILES OC(=O)c1ccnc(c1)C(O)=O
Show InChI InChI=1S/C7H5NO4/c9-6(10)4-1-2-8-5(3-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
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MCE
MMDB
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Article
PubMed
n/an/a 3.30E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM3A (unknown origin) expressed in Escherichia coli using H3 (1 to 21 residues) K9Me2-GGK-Biotin KDM3A Cognate Ligand/10 uM alpha-keto...


J Med Chem 59: 1580-98 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01527
BindingDB Entry DOI: 10.7270/Q2P84DRX
More data for this
Ligand-Target Pair
Lysine-specific demethylase 3A


(Homo sapiens (Human))
BDBM26113
PNG
(2,4 PDCA | cid_10365 | pyridine carboxylate, 6a | ...)
Show SMILES OC(=O)c1ccnc(c1)C(O)=O
Show InChI InChI=1S/C7H5NO4/c9-6(10)4-1-2-8-5(3-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
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MMDB
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PC sid
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Article
PubMed
n/an/a 5.40E+3n/an/an/an/a7.5n/a



University of Oxford



Assay Description
The demethylase AlphaScreen assay was performed in 384-well plate format using white proxiplates (PerkinElmer), and transfer of compound (100 nl) was...


Nat Chem Biol 12: 539-45 (2016)


Article DOI: 10.1038/nchembio.2087
BindingDB Entry DOI: 10.7270/Q27P8X6K
More data for this
Ligand-Target Pair
Lysine-specific demethylase 3A


(Homo sapiens (Human))
BDBM26113
PNG
(2,4 PDCA | cid_10365 | pyridine carboxylate, 6a | ...)
Show SMILES OC(=O)c1ccnc(c1)C(O)=O
Show InChI InChI=1S/C7H5NO4/c9-6(10)4-1-2-8-5(3-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 7.94E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM3A (unknown origin)


Medchemcomm 5: 1879-1886 (2014)


Article DOI: 10.1039/C4MD00291A
BindingDB Entry DOI: 10.7270/Q2KH0RBN
More data for this
Ligand-Target Pair