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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Lysine-specific demethylase 7A' and Ligand = 'BDBM50273476'   
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 7A


(Homo sapiens (Human))
BDBM50273476
PNG
(CHEMBL4128152)
Show SMILES [I-].C\N=C(\c1coc2ccccc12)c1ccc(OCCC[N+](C)(C)C)cc1
Show InChI InChI=1S/C22H27N2O2/c1-23-22(20-16-26-21-9-6-5-8-19(20)21)17-10-12-18(13-11-17)25-15-7-14-24(2,3)4/h5-6,8-13,16H,7,14-15H2,1-4H3/q+1/b23-22+
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 9.80E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of C-terminally biotinylated-H3K4me3 (1 to 21 residues) peptide from KDM7A (PHD-JmjC) (unknown origin) preincubated for 15 mins followed...


Bioorg Med Chem 26: 2984-2991 (2018)


Article DOI: 10.1016/j.bmc.2018.03.030
BindingDB Entry DOI: 10.7270/Q2N01912
More data for this
Ligand-Target Pair
Lysine-specific demethylase 7A


(Homo sapiens (Human))
BDBM50273476
PNG
(CHEMBL4128152)
Show SMILES [I-].C\N=C(\c1coc2ccccc12)c1ccc(OCCC[N+](C)(C)C)cc1
Show InChI InChI=1S/C22H27N2O2/c1-23-22(20-16-26-21-9-6-5-8-19(20)21)17-10-12-18(13-11-17)25-15-7-14-24(2,3)4/h5-6,8-13,16H,7,14-15H2,1-4H3/q+1/b23-22+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.80E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of C-terminally biotinylated-H3K4me3 (1 to 21 residues) peptide from KDM7A (PHD) (unknown origin) preincubated for 15 mins followed by p...


Bioorg Med Chem 26: 2984-2991 (2018)


Article DOI: 10.1016/j.bmc.2018.03.030
BindingDB Entry DOI: 10.7270/Q2N01912
More data for this
Ligand-Target Pair