new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50005730'   
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))
BDBM50005730
PNG
(CHEMBL3235790)
Show SMILES ONC(=O)\C=C\c1ccc(c(Cl)c1)-c1ccc(CC#N)c(c1)C12CC3CC(CC(C3)C1)C2 |TLB:25:26:24.23.29:30,THB:25:24:26.31.27:30,27:26:23:29.28.30,27:28:25.26.31:23|
Show InChI InChI=1S/C27H27ClN2O2/c28-25-12-17(2-6-26(31)30-32)1-5-23(25)22-4-3-21(7-8-29)24(13-22)27-14-18-9-19(15-27)11-20(10-18)16-27/h1-6,12-13,18-20,32H,7,9-11,14-16H2,(H,30,31)/b6-2+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.90E+4n/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 using fluorogenic tetrapeptide RHKKAc as substrate


Eur J Med Chem 79: 251-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.021
BindingDB Entry DOI: 10.7270/Q2V989KV
More data for this
Ligand-Target Pair