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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Lysine-specific demethylase 4B' and Ligand = 'BDBM293660'   
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 4B


(Homo sapiens (Human))
BDBM293660
PNG
(3-({[(1S)-6-[methyl(phenyl)amino]-1,2,3,4-tetrahyd...)
Show SMILES CN(c1ccccc1)c1ccc2[C@H](CNc3cnccc3C(O)=O)CCCc2c1 |r|
Show InChI InChI=1S/C24H25N3O2/c1-27(19-8-3-2-4-9-19)20-10-11-21-17(14-20)6-5-7-18(21)15-26-23-16-25-13-12-22(23)24(28)29/h2-4,8-14,16,18,26H,5-7,15H2,1H3,(H,28,29)/t18-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 35n/an/an/an/an/an/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
3D
3D Structure (crystal)
Lysine-specific demethylase 4B


(Homo sapiens (Human))
BDBM293660
PNG
(3-({[(1S)-6-[methyl(phenyl)amino]-1,2,3,4-tetrahyd...)
Show SMILES CN(c1ccccc1)c1ccc2[C@H](CNc3cnccc3C(O)=O)CCCc2c1 |r|
Show InChI InChI=1S/C24H25N3O2/c1-27(19-8-3-2-4-9-19)20-10-11-21-17(14-20)6-5-7-18(21)15-26-23-16-25-13-12-22(23)24(28)29/h2-4,8-14,16,18,26H,5-7,15H2,1H3,(H,28,29)/t18-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 56n/an/an/an/an/an/a



Celgene Quanticel Research

Curated by ChEMBL


Assay Description
Inhibition of KDM4B (unknown origin) using biotinylated H3K9me3 peptide and alpha-ketoglutarate as substrate pretreated for 1 hr followed by substrat...


ACS Med Chem Lett 8: 869-874 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00220
BindingDB Entry DOI: 10.7270/Q2HH6NPJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)