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Assay Detail

CHEMBL4024306

Review assay metadata, readout intent, target linkage, and publication context from the same page.

Binding
Inhibition of HDAC1 (unknown origin)
25
Total Activities
25
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Histone deacetylase 1 (CHEMBL325)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Discovery of N1-(4-((7-Cyclopentyl-6-(dimethylcarbamoyl)-7 H-pyrrolo[2,3- d]pyrimidin-2-yl)amino)phenyl)- N8-hydroxyoctanediamide as a Novel Inhibitor Targeting Cyclin-dependent Kinase 4/9 (CDK4/9) and Histone Deacetlyase1 (HDAC1) against Malignant Cancer.
Li Y, Luo X, Guo Q, Nie Y, Wang T, Zhang C, Huang Z, Wang X, Liu Y, Chen Y, Zheng J, Yang S, Fan Y, Xiang R.
J Med Chem (2018) 61 : 3166 -3192
PubMed 29518312 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 25 8.07 9.28

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4094507 1 9.28
CHEMBL4069404 1 9.08
CHEMBL4068308 1 8.85
CHEMBL4102249 1 8.80
CHEMBL4083345 1 8.80
CHEMBL4063500 1 8.66
CHEMBL4074698 1 8.59
CHEMBL4091353 1 8.52
CHEMBL4067088 1 8.51
CHEMBL98 VORINOSTAT 4.0 1 7.57
CHEMBL4090436 1 7.57
CHEMBL4082598 1 7.43
CHEMBL4066630 1 7.41
CHEMBL4091971 1 7.28
CHEMBL4084219 1 6.37
CHEMBL4066089 1 6.36
CHEMBL4072827 1 -
CHEMBL4092039 1 -
CHEMBL4102189 1 -
CHEMBL4073881 1 -
CHEMBL4095168 1 -
CHEMBL4087464 1 -
CHEMBL4092722 1 -
CHEMBL4071369 1 -
CHEMBL4065039 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4094507 IC50 = 0.53 nM 9.28
CHEMBL4069404 IC50 = 0.84 nM 9.08
CHEMBL4068308 IC50 = 1.4 nM 8.85
CHEMBL4102249 IC50 = 1.6 nM 8.80
CHEMBL4083345 IC50 = 1.6 nM 8.80
CHEMBL4063500 IC50 = 2.2 nM 8.66
CHEMBL4074698 IC50 = 2.6 nM 8.59
CHEMBL4091353 IC50 = 3.0 nM 8.52
CHEMBL4067088 IC50 = 3.1 nM 8.51
CHEMBL98 VORINOSTAT IC50 = 27.0 nM 7.57
CHEMBL4090436 IC50 = 27.0 nM 7.57
CHEMBL4082598 IC50 = 37.0 nM 7.43
CHEMBL4066630 IC50 = 39.0 nM 7.41
CHEMBL4091971 IC50 = 53.0 nM 7.28
CHEMBL4084219 IC50 = 423.0 nM 6.37
CHEMBL4066089 IC50 = 433.0 nM 6.36
CHEMBL4072827 IC50 > 5000.0 nM -
CHEMBL4092039 IC50 > 5000.0 nM -
CHEMBL4102189 IC50 > 5000.0 nM -
CHEMBL4073881 IC50 > 5000.0 nM -
CHEMBL4095168 IC50 > 5000.0 nM -
CHEMBL4087464 IC50 > 5000.0 nM -
CHEMBL4092722 IC50 > 5000.0 nM -
CHEMBL4071369 IC50 > 5000.0 nM -
CHEMBL4065039 IC50 > 5000.0 nM -