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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for monomerid = 195610   
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))
BDBM195610
PNG
(KDM inhibitor, 3)
Show SMILES CCc1c(C)[nH]c2c(cnn2c1=O)C#N
Show InChI InChI=1S/C10H10N4O/c1-3-8-6(2)13-9-7(4-11)5-12-14(9)10(8)15/h5,13H,3H2,1-2H3
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 20n/an/an/an/a7.0n/a



Genentech Inc



Assay Description
Time-resolved fluorescence resonance energy transfer (TR-FRET) assays were carried out using full-length KDM5 enzymes in 384-well black ProxiPlates (...


Nat Chem Biol 12: 531-8 (2016)


Article DOI: 10.1038/nchembio.2085
BindingDB Entry DOI: 10.7270/Q2CF9NXW
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM195610
PNG
(KDM inhibitor, 3)
Show SMILES CCc1c(C)[nH]c2c(cnn2c1=O)C#N
Show InChI InChI=1S/C10H10N4O/c1-3-8-6(2)13-9-7(4-11)5-12-14(9)10(8)15/h5,13H,3H2,1-2H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 20n/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))
BDBM195610
PNG
(KDM inhibitor, 3)
Show SMILES CCc1c(C)[nH]c2c(cnn2c1=O)C#N
Show InChI InChI=1S/C10H10N4O/c1-3-8-6(2)13-9-7(4-11)5-12-14(9)10(8)15/h5,13H,3H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 20n/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 4C [1-350]


(Homo sapiens (Human))
BDBM195610
PNG
(KDM inhibitor, 3)
Show SMILES CCc1c(C)[nH]c2c(cnn2c1=O)C#N
Show InChI InChI=1S/C10H10N4O/c1-3-8-6(2)13-9-7(4-11)5-12-14(9)10(8)15/h5,13H,3H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 620n/an/an/an/a7.5n/a



Genentech Inc



Assay Description
High-throughput MS assays were carried out using truncated KDM4C in 384-well V-bottom polypropylene plates (Greiner, Inc.). His-tagged recombinant KD...


Nat Chem Biol 12: 531-8 (2016)


Article DOI: 10.1038/nchembio.2085
BindingDB Entry DOI: 10.7270/Q2CF9NXW
More data for this
Ligand-Target Pair