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BDBM50446475 CHEMBL3110001

SMILES: ONC(=O)[C@@H]1[C@@H]([C@H]1c1ccc2nccnc2c1)c1ccccc1

InChI Key: InChIKey=QLOPWQMEFQZFEZ-BRWVUGGUSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50446475   
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 3


(Homo sapiens (Human))
BDBM50446475
PNG
(CHEMBL3110001)
Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1ccc2nccnc2c1)c1ccccc1
Show InChI InChI=1S/C18H15N3O2/c22-18(21-23)17-15(11-4-2-1-3-5-11)16(17)12-6-7-13-14(10-12)20-9-8-19-13/h1-10,15-17,23H,(H,21,22)/t15-,16-,17-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.90E+3n/an/an/an/an/an/a



BioFocus

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length HDAC3-NCoR2 using Lys_Ac_AMC as substrate after 60 mins by fluorescence assay


J Med Chem 56: 9934-54 (2013)


Article DOI: 10.1021/jm4011884
BindingDB Entry DOI: 10.7270/Q2DZ09RK
More data for this
Ligand-Target Pair