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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50241450'   
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
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50241450
PNG
(CHEMBL4072816)
Show SMILES Nc1ccccc1NC(=O)c1ccc(NC(=O)NCc2ccc(Cl)nc2)cc1
Show InChI InChI=1S/C20H18ClN5O2/c21-18-10-5-13(11-23-18)12-24-20(28)25-15-8-6-14(7-9-15)19(27)26-17-4-2-1-3-16(17)22/h1-11H,12,22H2,(H,26,27)(H2,24,25,28)
PDB
MMDB

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Patents


Similars

Article
PubMed
n/an/a 21n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 (1 to 482 residues) expressed in Baculovirus using Ac-Leu-Gly-Lys(Ac)-AMC as substrate preincubated for 5 mins ...


J Med Chem 60: 7965-7983 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00467
BindingDB Entry DOI: 10.7270/Q2VM4FDV
More data for this
Ligand-Target Pair