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BDBM340958 US9765054, Compound 83

SMILES: CC(C)N1CCN(CC1)c1ccc(cn1)[C@H]1[C@@H]([C@@H]1c1ccccc1F)C(=O)NO

InChI Key: InChIKey=ACSAICDEWQVODM-NJYVYQBISA-N

Data: 1 IC50

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 1 hit for monomerid = 340958   
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))
BDBM340958
PNG
(US9765054, Compound 83)
Show SMILES CC(C)N1CCN(CC1)c1ccc(cn1)[C@H]1[C@@H]([C@@H]1c1ccccc1F)C(=O)NO
Show InChI InChI=1S/C22H27FN4O2/c1-14(2)26-9-11-27(12-10-26)18-8-7-15(13-24-18)19-20(21(19)22(28)25-29)16-5-3-4-6-17(16)23/h3-8,13-14,19-21,29H,9-12H2,1-2H3,(H,25,28)/t19-,20-,21+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 120n/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 US9765054 (2017)


BindingDB Entry DOI: 10.7270/Q2XW4MZG
More data for this
Ligand-Target Pair