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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Lysine-specific demethylase 5A' and Ligand = 'BDBM50532959'   
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))
BDBM50532959
PNG
(CHEMBL4458334)
Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1cnn(c1)C(C)C
Show InChI InChI=1S/C16H18N6O/c1-9(2)13-14(12-7-18-21(8-12)10(3)4)20-15-11(5-17)6-19-22(15)16(13)23/h6-10,20H,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin)


Bioorg Med Chem Lett 26: 4036-41 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.078
BindingDB Entry DOI: 10.7270/Q2GB27J7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50532959
PNG
(CHEMBL4458334)
Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1cnn(c1)C(C)C
Show InChI InChI=1S/C16H18N6O/c1-9(2)13-14(12-7-18-21(8-12)10(3)4)20-15-11(5-17)6-19-22(15)16(13)23/h6-10,20H,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin)


Bioorg Med Chem Lett 26: 4036-41 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.078
BindingDB Entry DOI: 10.7270/Q2GB27J7
More data for this
Ligand-Target Pair