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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Lysine-specific demethylase 5B' and Ligand = 'BDBM263944'   
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 5B


(Homo sapiens (Human))
BDBM263944
PNG
(2-(5-(2,4-difluorophenyl)-1H- pyrazol-1-yl)isonico...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1-c1ccc(F)cc1F
Show InChI InChI=1S/C15H9F2N3O2/c16-10-1-2-11(12(17)8-10)13-4-6-19-20(13)14-7-9(15(21)22)3-5-18-14/h1-8H,(H,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 170n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) preincubated with enzyme


Bioorg Med Chem Lett 28: 1490-1494 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.083
BindingDB Entry DOI: 10.7270/Q26Q20W4
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM263944
PNG
(2-(5-(2,4-difluorophenyl)-1H- pyrazol-1-yl)isonico...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1-c1ccc(F)cc1F
Show InChI InChI=1S/C15H9F2N3O2/c16-10-1-2-11(12(17)8-10)13-4-6-19-20(13)14-7-9(15(21)22)3-5-18-14/h1-8H,(H,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
The ability of test compounds to inhibit the activity of Jarid1B was determined in 384-well plate format under the following reaction conditions: 0.8...


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q29Z9762
More data for this
Ligand-Target Pair