BindingDB logo
myBDB logout

null

SMILES: Cc1c(F)cccc1[C@@]1(CCC(=C1)c1cnn(CC(F)(F)F)c1)C(=O)NO

InChI Key: InChIKey=UEBUMEGYICYBBJ-KRWDZBQOSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 293902   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293902
PNG
((S)-1-(3-Fluoro-2- methylphenyl)-N- hydroxy-3-(1-(...)
Show SMILES Cc1c(F)cccc1[C@@]1(CCC(=C1)c1cnn(CC(F)(F)F)c1)C(=O)NO |r,c:12|
Show InChI InChI=1S/C18H17F4N3O2/c1-11-14(3-2-4-15(11)19)17(16(26)24-27)6-5-12(7-17)13-8-23-25(9-13)10-18(20,21)22/h2-4,7-9,27H,5-6,10H2,1H3,(H,24,26)/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))
BDBM293902
PNG
((S)-1-(3-Fluoro-2- methylphenyl)-N- hydroxy-3-(1-(...)
Show SMILES Cc1c(F)cccc1[C@@]1(CCC(=C1)c1cnn(CC(F)(F)F)c1)C(=O)NO |r,c:12|
Show InChI InChI=1S/C18H17F4N3O2/c1-11-14(3-2-4-15(11)19)17(16(26)24-27)6-5-12(7-17)13-8-23-25(9-13)10-18(20,21)22/h2-4,7-9,27H,5-6,10H2,1H3,(H,24,26)/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