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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 3' and Ligand = 'BDBM50356634'   
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 3


(Homo sapiens (Human))
BDBM50356634
PNG
(CHEMBL1914702)
Show SMILES ONC(=O)CCCCCCNC(=O)c1cc(on1)-c1ccc(NC(=O)c2cc(CN=[N+]=[N-])cc(c2)N=[N+]=[N-])cc1
Show InChI InChI=1S/C25H26N10O5/c26-34-29-15-16-11-18(13-20(12-16)31-35-27)24(37)30-19-8-6-17(7-9-19)22-14-21(33-40-22)25(38)28-10-4-2-1-3-5-23(36)32-39/h6-9,11-14,39H,1-5,10,15H2,(H,28,38)(H,30,37)(H,32,36)
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
23n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3 using Boc-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 min...


Bioorg Med Chem Lett 22: 6621-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.104
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50356634
PNG
(CHEMBL1914702)
Show SMILES ONC(=O)CCCCCCNC(=O)c1cc(on1)-c1ccc(NC(=O)c2cc(CN=[N+]=[N-])cc(c2)N=[N+]=[N-])cc1
Show InChI InChI=1S/C25H26N10O5/c26-34-29-15-16-11-18(13-20(12-16)31-35-27)24(37)30-19-8-6-17(7-9-19)22-14-21(33-40-22)25(38)28-10-4-2-1-3-5-23(36)32-39/h6-9,11-14,39H,1-5,10,15H2,(H,28,38)(H,30,37)(H,32,36)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 45n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3 using Boc-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 min...


Bioorg Med Chem Lett 22: 6621-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.104
More data for this
Ligand-Target Pair