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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 = 'BDBM163635'   
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))
BDBM163635
PNG
(SR-3298 | US10807944, Compound RLS2-225 | US117319...)
Show SMILES CN(C)c1ccc(cc1)C(=O)NNCC1CCCC1
Show InChI InChI=1S/C15H23N3O/c1-18(2)14-9-7-13(8-10-14)15(19)17-16-11-12-5-3-4-6-12/h7-10,12,16H,3-6,11H2,1-2H3,(H,17,19)
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Similars

US Patent
n/an/a 1.67E+3n/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))
BDBM163635
PNG
(SR-3298 | US10807944, Compound RLS2-225 | US117319...)
Show SMILES CN(C)c1ccc(cc1)C(=O)NNCC1CCCC1
Show InChI InChI=1S/C15H23N3O/c1-18(2)14-9-7-13(8-10-14)15(19)17-16-11-12-5-3-4-6-12/h7-10,12,16H,3-6,11H2,1-2H3,(H,17,19)
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KEGG

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antibodypedia
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PC sid
UniChem

Similars

n/an/a 1.67E+3n/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))
BDBM163635
PNG
(SR-3298 | US10807944, Compound RLS2-225 | US117319...)
Show SMILES CN(C)c1ccc(cc1)C(=O)NNCC1CCCC1
Show InChI InChI=1S/C15H23N3O/c1-18(2)14-9-7-13(8-10-14)15(19)17-16-11-12-5-3-4-6-12/h7-10,12,16H,3-6,11H2,1-2H3,(H,17,19)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 1.67E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair