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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Lysine-specific histone demethylase 2' and Ligand = 'BDBM50236447'   
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 histone demethylase 2


(Homo sapiens (Human))
BDBM50236447
PNG
(CHEMBL4069817)
Show SMILES CCn1c(cc2sccc12)C(=O)Nc1cccc(COC)c1COc1ccc(OC[C@@H]2CCNC2)cc1 |r|
Show InChI InChI=1S/C29H33N3O4S/c1-3-32-26-12-14-37-28(26)15-27(32)29(33)31-25-6-4-5-21(18-34-2)24(25)19-36-23-9-7-22(8-10-23)35-17-20-11-13-30-16-20/h4-10,12,14-15,20,30H,3,11,13,16-19H2,1-2H3,(H,31,33)/t20-/m1/s1
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Similars

Article
PubMed
n/an/a 1.67E+4n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of KDM1B (unknown origin)


J Med Chem 60: 1693-1715 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01019
BindingDB Entry DOI: 10.7270/Q22809VX
More data for this
Ligand-Target Pair