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Assay Detail

CHEMBL3624758

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

Binding
Binding affinity to ERalpha receptor (unknown origin)
19
Total Activities
18
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

Estrogen receptor (CHEMBL206)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Optimization of a Novel Binding Motif to (E)-3-(3,5-Difluoro-4-((1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenyl)acrylic Acid (AZD9496), a Potent and Orally Bioavailable Selective Estrogen Receptor Downregulator and Antagonist.
De Savi C, Bradbury RH, Rabow AA, Norman RA, de Almeida C, Andrews DM, Ballard P, Buttar D, Callis RJ, Currie GS, Curwen JO, Davies CD, Donald CS, Feron LJ, Gingell H, Glossop SC, Hayter BR, Hussain S, Karoutchi G, Lamont SG, MacFaul P, Moss TA, Pearson SE, Tonge M, Walker GE, Weir HM, Wilson Z.
J Med Chem (2015) 58 : 8128 -8140
PubMed 26407012 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 19 7.79 9.84

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL195515 1 9.84
CHEMBL2137046 1 9.51
CHEMBL3623004 AZD-9496 1.0 2 9.17
CHEMBL3623002 1 9.15
CHEMBL1358 FULVESTRANT 4.0 1 9.09
CHEMBL3623003 1 9.00
CHEMBL33899 1 8.49
CHEMBL3623001 1 8.19
CHEMBL3622996 1 7.65
CHEMBL83 TAMOXIFEN 4.0 1 7.61
CHEMBL3622994 1 7.40
CHEMBL3622999 1 7.16
CHEMBL3622997 1 7.15
CHEMBL3623000 1 7.01
CHEMBL3622998 1 6.16
CHEMBL3622995 1 5.75
CHEMBL3622992 1 5.69
CHEMBL3622993 1 4.86

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL195515 IC50 = 0.1445 nM 9.84
CHEMBL2137046 IC50 = 0.309 nM 9.51
CHEMBL3623004 AZD-9496 IC50 = 0.6761 nM 9.17
CHEMBL3623002 IC50 = 0.7079 nM 9.15
CHEMBL3623004 AZD-9496 IC50 = 0.8 nM 9.10
CHEMBL1358 FULVESTRANT IC50 = 0.8128 nM 9.09
CHEMBL3623003 IC50 = 1.0 nM 9.00
CHEMBL33899 IC50 = 3.236 nM 8.49
CHEMBL3623001 IC50 = 6.457 nM 8.19
CHEMBL3622996 IC50 = 22.39 nM 7.65
CHEMBL83 TAMOXIFEN IC50 = 24.55 nM 7.61
CHEMBL3622994 IC50 = 39.81 nM 7.40
CHEMBL3622999 IC50 = 69.18 nM 7.16
CHEMBL3622997 IC50 = 70.79 nM 7.15
CHEMBL3623000 IC50 = 97.72 nM 7.01
CHEMBL3622998 IC50 = 691.83 nM 6.16
CHEMBL3622995 IC50 = 1778.28 nM 5.75
CHEMBL3622992 IC50 = 2041.74 nM 5.69
CHEMBL3622993 IC50 = 13803.84 nM 4.86