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Target
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Compile Data Set for Download or QSAR
Found
3
hits Enz. Inhib. hit(s) with Target = 'Lysine-specific demethylase 4A' and Ligand = 'BDBM50158853'
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
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°C
Lysine-specific demethylase 4A
(Homo sapiens (Human))
BDBM50158853
(CHEMBL3786188)
Show SMILES
Cc1ccc(cc1)N1N=C(SC11SCC(=O)N1c1ccccc1)C(=O)c1ccccc1 |c:9|
Show InChI
InChI=1S/C24H19N3O2S2/c1-17-12-14-20(15-13-17)27-24(26(21(28)16-30-24)19-10-6-3-7-11-19)31-23(25-27)22(29)18-8-4-2-5-9-18/h2-15H,16H2,1H3
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
420
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00680
BindingDB Entry DOI:
10.7270/Q2W95F76
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A
(Homo sapiens (Human))
BDBM50158853
(CHEMBL3786188)
Show SMILES
Cc1ccc(cc1)N1N=C(SC11SCC(=O)N1c1ccccc1)C(=O)c1ccccc1 |c:9|
Show InChI
InChI=1S/C24H19N3O2S2/c1-17-12-14-20(15-13-17)27-24(26(21(28)16-30-24)19-10-6-3-7-11-19)31-23(25-27)22(29)18-8-4-2-5-9-18/h2-15H,16H2,1H3
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
3.02E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
University of Oxford
Curated by
ChEMBL
Assay Description
Competitive inhibition of recombinant His6-tagged KDM4A (1 to 359 residues) (unknown origin) expressed in Escherichia coli BL21 cells using methylsta...
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 4A
(Homo sapiens (Human))
BDBM50158853
(CHEMBL3786188)
Show SMILES
Cc1ccc(cc1)N1N=C(SC11SCC(=O)N1c1ccccc1)C(=O)c1ccccc1 |c:9|
Show InChI
InChI=1S/C24H19N3O2S2/c1-17-12-14-20(15-13-17)27-24(26(21(28)16-30-24)19-10-6-3-7-11-19)31-23(25-27)22(29)18-8-4-2-5-9-18/h2-15H,16H2,1H3
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
n/a
n/a
280
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00680
BindingDB Entry DOI:
10.7270/Q2W95F76
More data for this
Ligand-Target Pair