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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 4' and Ligand = 'BDBM293885'   
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 4


(Homo sapiens (Human))
BDBM293885
PNG
((S)-3-(5-Chloropyridin-3- yl)-1-(3-fluoro-2- methy...)
Show SMILES Cc1c(F)cccc1[C@@]1(CCC(=C1)c1cncc(Cl)c1)C(=O)NO |r,c:12|
Show InChI InChI=1S/C18H16ClFN2O2/c1-11-15(3-2-4-16(11)20)18(17(23)22-24)6-5-12(8-18)13-7-14(19)10-21-9-13/h2-4,7-10,24H,5-6H2,1H3,(H,22,23)/t18-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 20n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
2 μl (200×) of each diluted solution and each control (full activity: 100% DMSO alone or full inhibition 1 mM) is stamped into V-bottomed polypr...


US Patent US9617259 (2017)


BindingDB Entry DOI: 10.7270/Q2DN4743
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293885
PNG
((S)-3-(5-Chloropyridin-3- yl)-1-(3-fluoro-2- methy...)
Show SMILES Cc1c(F)cccc1[C@@]1(CCC(=C1)c1cncc(Cl)c1)C(=O)NO |r,c:12|
Show InChI InChI=1S/C18H16ClFN2O2/c1-11-15(3-2-4-16(11)20)18(17(23)22-24)6-5-12(8-18)13-7-14(19)10-21-9-13/h2-4,7-10,24H,5-6H2,1H3,(H,22,23)/t18-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 20n/an/an/an/an/an/a



CHDI FOUNDATION, INC.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US10106535 (2018)


BindingDB Entry DOI: 10.7270/Q2F47R6G
More data for this
Ligand-Target Pair