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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 3' and Ligand = 'BDBM163625'   
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))
BDBM163625
PNG
(SR-3210 | US10807944, Compound RLS2-133 | US117319...)
Show SMILES CCCCNNC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C11H15ClN2O/c1-2-3-8-13-14-11(15)9-4-6-10(12)7-5-9/h4-7,13H,2-3,8H2,1H3,(H,14,15)
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 950n/an/an/an/an/an/a



University of Florida Research Foundation, Inc.; The Scripps Research Institute

US Patent


Assay Description
These SAR data indicate that a tripartite structure of this scaffold with a central —C(O)—NH—NH— unit flanked by a phenyl group and a short aliphatic...


US Patent US10807944 (2020)


BindingDB Entry DOI: 10.7270/Q2M048J6
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM163625
PNG
(SR-3210 | US10807944, Compound RLS2-133 | US117319...)
Show SMILES CCCCNNC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C11H15ClN2O/c1-2-3-8-13-14-11(15)9-4-6-10(12)7-5-9/h4-7,13H,2-3,8H2,1H3,(H,14,15)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 950n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2445RM9
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM163625
PNG
(SR-3210 | US10807944, Compound RLS2-133 | US117319...)
Show SMILES CCCCNNC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C11H15ClN2O/c1-2-3-8-13-14-11(15)9-4-6-10(12)7-5-9/h4-7,13H,2-3,8H2,1H3,(H,14,15)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 2.50E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair