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Assay Detail

CHEMBL1219212

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

Functional
Cytotoxicity against human HCT116 cells by Alamar blue assay
34
Total Activities
34
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Functional
Organism Homo sapiens
Cell Type HCT-116
Confidence 1 — Organism
Curated By Autocuration

Target

HCT-116 (CHEMBL394)
Type CELL-LINE
Organism Homo sapiens

Publication

Discovery of (2,4-dihydroxy-5-isopropylphenyl)-[5-(4-methylpiperazin-1-ylmethyl)-1,3-dihydroisoindol-2-yl]methanone (AT13387), a novel inhibitor of the molecular chaperone Hsp90 by fragment based drug design.
Woodhead AJ, Angove H, Carr MG, Chessari G, Congreve M, Coyle JE, Cosme J, Graham B, Day PJ, Downham R, Fazal L, Feltell R, Figueroa E, Frederickson M, Lewis J, McMenamin R, Murray CW, O'Brien MA, Parra L, Patel S, Phillips T, Rees DC, Rich S, Smith DM, Trewartha G, Vinkovic M, Williams B, Woolford AJ.
J Med Chem (2010) 53 : 5956 -5969
PubMed 20662534 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 34 6.95 7.80

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL1215744 1 7.80
CHEMBL1215677 1 7.68
CHEMBL1215678 1 7.68
CHEMBL1214677 1 7.68
CHEMBL1215614 1 7.60
CHEMBL1215741 1 7.55
CHEMBL1215611 1 7.52
CHEMBL1214678 1 7.52
CHEMBL1215467 1 7.51
CHEMBL1215676 1 7.50
CHEMBL1214747 1 7.33
CHEMBL1214827 ONALESPIB 2.0 1 7.32
CHEMBL383824 ALVESPIMYCIN 2.0 1 7.30
CHEMBL2448099 1 7.30
CHEMBL1214749 1 7.17
CHEMBL1215612 1 7.12
CHEMBL1214750 1 7.10
CHEMBL1215541 1 7.10
CHEMBL1214679 1 7.10
CHEMBL1215743 1 7.08
CHEMBL1215613 1 7.05
CHEMBL1215742 1 7.03
CHEMBL1214746 1 7.02
CHEMBL1214676 1 7.00
CHEMBL1214748 1 6.89
CHEMBL1215540 1 6.75
CHEMBL1215675 1 6.70
CHEMBL1215539 1 6.64
CHEMBL1215542 1 6.54
CHEMBL1215745 1 6.52

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL1215744 IC50 = 16.0 nM 7.80
CHEMBL1215677 IC50 = 21.0 nM 7.68
CHEMBL1214677 IC50 = 21.0 nM 7.68
CHEMBL1215678 IC50 = 21.0 nM 7.68
CHEMBL1215614 IC50 = 25.0 nM 7.60
CHEMBL1215741 IC50 = 28.0 nM 7.55
CHEMBL1215611 IC50 = 30.0 nM 7.52
CHEMBL1214678 IC50 = 30.0 nM 7.52
CHEMBL1215467 IC50 = 31.0 nM 7.51
CHEMBL1215676 IC50 = 32.0 nM 7.50
CHEMBL1214747 IC50 = 47.0 nM 7.33
CHEMBL1214827 ONALESPIB IC50 = 48.0 nM 7.32
CHEMBL383824 ALVESPIMYCIN IC50 = 50.0 nM 7.30
CHEMBL2448099 IC50 = 50.0 nM 7.30
CHEMBL1214749 IC50 = 68.0 nM 7.17
CHEMBL1215612 IC50 = 75.0 nM 7.12
CHEMBL1214679 IC50 = 79.0 nM 7.10
CHEMBL1215541 IC50 = 80.0 nM 7.10
CHEMBL1214750 IC50 = 80.0 nM 7.10
CHEMBL1215743 IC50 = 84.0 nM 7.08
CHEMBL1215613 IC50 = 90.0 nM 7.05
CHEMBL1215742 IC50 = 93.0 nM 7.03
CHEMBL1214746 IC50 = 96.0 nM 7.02
CHEMBL1214676 IC50 = 100.0 nM 7.00
CHEMBL1214748 IC50 = 130.0 nM 6.89
CHEMBL1215540 IC50 = 180.0 nM 6.75
CHEMBL1215675 IC50 = 200.0 nM 6.70
CHEMBL1215539 IC50 = 230.0 nM 6.64
CHEMBL1215542 IC50 = 290.0 nM 6.54
CHEMBL1215745 IC50 = 300.0 nM 6.52
CHEMBL1215468 IC50 = 2500.0 nM 5.60
CHEMBL1215543 IC50 = 3500.0 nM 5.46
CHEMBL1215538 IC50 = 25000.0 nM 4.60
CHEMBL1215609 IC50 = 30000.0 nM 4.52