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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 = 'BDBM50158694'   
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))
BDBM50158694
PNG
(CHEMBL3786803 | US10273222, Example 12)
Show SMILES COc1ccc(cc1)-c1c(ncn1C)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C17H15N3O3/c1-20-10-19-15(14-9-12(17(21)22)7-8-18-14)16(20)11-3-5-13(23-2)6-4-11/h3-10H,1-2H3,(H,21,22)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 100n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal FLAG-tagged KDM5A (1 to 1090 residues) expressed in baculovirus infected sf9 cells using biotin-H3K4me3 su...


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 demethylase 5A


(Homo sapiens (Human))
BDBM50158694
PNG
(CHEMBL3786803 | US10273222, Example 12)
Show SMILES COc1ccc(cc1)-c1c(ncn1C)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C17H15N3O3/c1-20-10-19-15(14-9-12(17(21)22)7-8-18-14)16(20)11-3-5-13(23-2)6-4-11/h3-10H,1-2H3,(H,21,22)
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US Patent
n/an/a 550n/an/an/an/an/an/a



Novartis



Assay Description
The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...


J Med Chem 51: 5502-5 (2008)


BindingDB Entry DOI: 10.7270/Q2DF6THR
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50158694
PNG
(CHEMBL3786803 | US10273222, Example 12)
Show SMILES COc1ccc(cc1)-c1c(ncn1C)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C17H15N3O3/c1-20-10-19-15(14-9-12(17(21)22)7-8-18-14)16(20)11-3-5-13(23-2)6-4-11/h3-10H,1-2H3,(H,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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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 KDM5A in human ZR-75-1 cells assessed as reduction in H3K4me3 demethylation incubated for 72 hrs by fluorometric immunoassay


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