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Assay Detail

CHEMBL4386410

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ADMET
Inhibition of human recombinant full length C-terminal His-tagged HDAC3 (1 to 428 residues)/N-terminal GST-tagged NCOR2 (395 to 489 residues) expressed in baculovirus infected insect cells measured after 40 mins by HDAC-Glo1/2 luminescent assay
11
Total Activities
11
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type ADMET
Organism Homo sapiens
Confidence 7 — Homologous single protein target
Curated By Autocuration

Publication

Selective Inhibition of Histone Deacetylase 10: Hydrogen Bonding to the Gatekeeper Residue is Implicated.
Géraldy M, Morgen M, Sehr P, Steimbach RR, Moi D, Ridinger J, Oehme I, Witt O, Malz M, Nogueira MS, Koch O, Gunkel N, Miller AK.
J Med Chem (2019) 62 : 4426 -4443
PubMed 30964290 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 11 6.00 7.40

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL98 VORINOSTAT 4.0 1 7.40
CHEMBL4532181 1 6.80
CHEMBL4578278 1 6.40
CHEMBL4541796 1 6.30
CHEMBL4066920 1 6.20
CHEMBL4470067 1 6.10
CHEMBL4531802 1 5.90
CHEMBL2018302 TUBASTATIN A 1 5.80
CHEMBL3971436 1 5.50
CHEMBL2018451 1 5.40
CHEMBL2170177 1 4.20

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL98 VORINOSTAT IC50 = 39.81 nM 7.40
CHEMBL4532181 IC50 = 158.49 nM 6.80
CHEMBL4578278 IC50 = 398.11 nM 6.40
CHEMBL4541796 IC50 = 501.19 nM 6.30
CHEMBL4066920 IC50 = 630.96 nM 6.20
CHEMBL4470067 IC50 = 794.33 nM 6.10
CHEMBL4531802 IC50 = 1258.93 nM 5.90
CHEMBL2018302 TUBASTATIN A IC50 = 1584.89 nM 5.80
CHEMBL3971436 IC50 = 3162.28 nM 5.50
CHEMBL2018451 IC50 = 3981.07 nM 5.40
CHEMBL2170177 IC50 = 63095.73 nM 4.20