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BDBM340867 US9765054, Compound 25D::US9765054, Compound 28d

SMILES: ONC(=O)[C@@H]1[C@@H]([C@H]1c1ccnc(c1)C1CC1)c1ccc(F)cc1

InChI Key: InChIKey=ZVRAEVJPHJQADI-BRWVUGGUSA-N

Data: 2 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 2 hits for monomerid = 340867   
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))
BDBM340867
PNG
(US9765054, Compound 25D | US9765054, Compound 28d)
Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1ccnc(c1)C1CC1)c1ccc(F)cc1
Show InChI InChI=1S/C18H17FN2O2/c19-13-5-3-11(4-6-13)15-16(17(15)18(22)21-23)12-7-8-20-14(9-12)10-1-2-10/h3-10,15-17,23H,1-2H2,(H,21,22)/t15-,16-,17-/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
Histone deacetylase 4


(Homo sapiens (Human))
BDBM340867
PNG
(US9765054, Compound 25D | US9765054, Compound 28d)
Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1ccnc(c1)C1CC1)c1ccc(F)cc1
Show InChI InChI=1S/C18H17FN2O2/c19-13-5-3-11(4-6-13)15-16(17(15)18(22)21-23)12-7-8-20-14(9-12)10-1-2-10/h3-10,15-17,23H,1-2H2,(H,21,22)/t15-,16-,17-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 30n/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