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

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 3/Nuclear receptor corepressor 2' and Ligand = 'BDBM50377687'   
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/Nuclear receptor corepressor 2


(Homo sapiens (Human))
BDBM50377687
PNG
(CHEMBL255686)
Show SMILES ONC(=O)CCCCCCNC(=O)c1ccc(NCc2cn(CCCNC(=S)Nc3ccc(c(c3)C(O)=O)-c3c4ccccc4oc4cc(=O)ccc34)nn2)cc1 |(33.95,-8.48,;32.41,-8.48,;31.64,-7.15,;32.4,-5.81,;30.1,-7.15,;29.32,-5.82,;27.78,-5.82,;27.01,-4.48,;25.47,-4.48,;24.7,-3.15,;23.16,-3.15,;22.39,-1.81,;23.16,-.48,;20.85,-1.81,;20.08,-3.15,;18.54,-3.15,;17.79,-1.81,;16.25,-1.81,;15.48,-.47,;13.94,-.47,;12.9,.67,;11.5,.03,;10.17,.8,;8.83,.02,;7.5,.79,;6.17,.02,;4.83,.78,;4.83,2.32,;3.5,.01,;3.5,-1.53,;2.18,-2.3,;2.17,-3.85,;3.51,-4.62,;4.84,-3.85,;4.84,-2.3,;6.18,-4.61,;6.18,-6.15,;7.51,-3.84,;3.48,-7.08,;4.8,-7.85,;6.13,-7.07,;7.46,-7.83,;7.47,-9.38,;6.13,-10.16,;4.79,-9.38,;3.47,-10.15,;2.14,-9.37,;.82,-10.14,;-.51,-9.37,;-1.84,-10.14,;-.51,-7.84,;.82,-7.08,;2.14,-7.84,;11.66,-1.49,;13.17,-1.81,;18.54,-.48,;20.08,-.48,)|
Show InChI InChI=1S/C41H42N8O7S/c50-30-16-18-33-36(23-30)56-35-9-5-4-8-32(35)38(33)31-17-15-28(22-34(31)40(53)54)45-41(57)43-20-7-21-49-25-29(46-48-49)24-44-27-13-11-26(12-14-27)39(52)42-19-6-2-1-3-10-37(51)47-55/h4-5,8-9,11-18,22-23,25,44,55H,1-3,6-7,10,19-21,24H2,(H,42,52)(H,47,51)(H,53,54)(H2,43,45,57)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 2n/an/an/an/an/a



The Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Displacement of fluorescent 5-(3-(3-(4-((4-((7-(hydroxyamino)-7-oxoheptyl)carbamoyl)phenylamino)methyl)-1H-1,2,3-triazol-1-yl)propyl)thioureido)-2-(3...


Bioorg Med Chem Lett 18: 2809-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.007
BindingDB Entry DOI: 10.7270/Q2ST7QR7
More data for this
Ligand-Target Pair