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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 = 'BDBM293892'   
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))
BDBM293892
PNG
((S)-3-(1-(Difluoromethyl)- 1H-pyrazol-4-yl)-1-(3- ...)
Show SMILES Cc1c(F)cccc1[C@@]1(CCC(=C1)c1cnn(c1)C(F)F)C(=O)NO |r,c:12|
Show InChI InChI=1S/C17H16F3N3O2/c1-10-13(3-2-4-14(10)18)17(15(24)22-25)6-5-11(7-17)12-8-21-23(9-12)16(19)20/h2-4,7-9,16,25H,5-6H2,1H3,(H,22,24)/t17-/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))
BDBM293892
PNG
((S)-3-(1-(Difluoromethyl)- 1H-pyrazol-4-yl)-1-(3- ...)
Show SMILES Cc1c(F)cccc1[C@@]1(CCC(=C1)c1cnn(c1)C(F)F)C(=O)NO |r,c:12|
Show InChI InChI=1S/C17H16F3N3O2/c1-10-13(3-2-4-14(10)18)17(15(24)22-25)6-5-11(7-17)12-8-21-23(9-12)16(19)20/h2-4,7-9,16,25H,5-6H2,1H3,(H,22,24)/t17-/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