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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50160879   
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 [648-729,745-1057]


(Homo sapiens (Human))
BDBM50160879
PNG
(CHEMBL3793392 | US9505736, (1S,2S,3S)-1-Fluoro-2-(...)
Show SMILES ONC(=O)[C@]1(F)[C@@H]([C@H]1c1ccc(cc1)-c1ncc(F)cn1)c1ccccc1 |r|
Show InChI InChI=1S/C20H15F2N3O2/c21-15-10-23-18(24-11-15)14-8-6-13(7-9-14)17-16(12-4-2-1-3-5-12)20(17,22)19(26)25-27/h1-11,16-17,27H,(H,25,26)/t16-,17-,20+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Patents

PDB
US Patent
n/an/a 10n/an/an/an/a8.025



CHDI Foundation, Inc.

US Patent


Assay Description
The potency of Class IIa Histone Deacetylase (HDAC) inhibitors is quantified by measuring the Histone Deacetylase 4 (HDAC4) catalytic domain enzymati...


US Patent US9505736 (2016)


BindingDB Entry DOI: 10.7270/Q2T152KR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50160879
PNG
(CHEMBL3793392 | US9505736, (1S,2S,3S)-1-Fluoro-2-(...)
Show SMILES ONC(=O)[C@]1(F)[C@@H]([C@H]1c1ccc(cc1)-c1ncc(F)cn1)c1ccccc1 |r|
Show InChI InChI=1S/C20H15F2N3O2/c21-15-10-23-18(24-11-15)14-8-6-13(7-9-14)17-16(12-4-2-1-3-5-12)20(17,22)19(26)25-27/h1-11,16-17,27H,(H,25,26)/t16-,17-,20+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Patents

PDB
n/an/a 100n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Phosphodiesterase 2 from pig coronary artery


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)