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Assay Detail

CHEMBL2329816

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

Binding
Inhibition of human recombinant AKR1C2-mediated NADP+-dependent oxidation of S-(+)-1,2,3,4-tetrahydro-1-naphthol
ChEMBL ↗
60
Total Activities
60
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

Aldo-keto reductase family 1 member C2 (CHEMBL5847) ↗
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Development of potent and selective indomethacin analogues for the inhibition of AKR1C3 (Type 5 17β-hydroxysteroid dehydrogenase/prostaglandin F synthase) in castrate-resistant prostate cancer.
Liedtke AJ, Adeniji AO, Chen M, Byrns MC, Jin Y, Christianson DW, Marnett LJ, Penning TM.
J Med Chem (2013) 56 : 2429 -2446
PubMed 23432095 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 60 4.48 5.21

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL2323476 — — 1 5.21
CHEMBL2323477 — — 1 5.11
CHEMBL2323498 — — 1 5.10
CHEMBL2323509 — — 1 5.01
CHEMBL2323510 — — 1 4.91
CHEMBL2323514 — — 1 4.91
CHEMBL2323482 — — 1 4.87
CHEMBL2323507 — — 1 4.84
CHEMBL2323496 — — 1 4.82
CHEMBL2323493 — — 1 4.82
CHEMBL2323489 — — 1 4.78
CHEMBL2323492 — — 1 4.77
CHEMBL2323497 — — 1 4.76
CHEMBL2323504 — — 1 4.72
CHEMBL2323475 — — 1 4.71
CHEMBL2323516 — — 1 4.67
CHEMBL2323488 — — 1 4.63
CHEMBL2323483 — — 1 4.62
CHEMBL2323520 — — 1 4.56
CHEMBL2323502 — — 1 4.48
CHEMBL2323517 — — 1 4.47
CHEMBL2323474 — — 1 4.45
CHEMBL6 INDOMETHACIN 4.0 1 4.44
CHEMBL2323494 — — 1 4.42
CHEMBL2323499 — — 1 4.40
CHEMBL2323503 — — 1 4.40
CHEMBL2323500 — — 1 4.40
CHEMBL2323518 — — 1 4.39
CHEMBL2323472 — — 1 4.39
CHEMBL2323491 — — 1 4.37

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL2323476 — IC50 = 6190.0 nM 5.21
CHEMBL2323477 — IC50 = 7840.0 nM 5.11
CHEMBL2323498 — IC50 = 7900.0 nM 5.10
CHEMBL2323509 — IC50 = 9820.0 nM 5.01
CHEMBL2323510 — IC50 = 12280.0 nM 4.91
CHEMBL2323514 — IC50 = 12260.0 nM 4.91
CHEMBL2323482 — IC50 = 13550.0 nM 4.87
CHEMBL2323507 — IC50 = 14450.0 nM 4.84
CHEMBL2323496 — IC50 = 15100.0 nM 4.82
CHEMBL2323493 — IC50 = 15270.0 nM 4.82
CHEMBL2323489 — IC50 = 16680.0 nM 4.78
CHEMBL2323492 — IC50 = 16830.0 nM 4.77
CHEMBL2323497 — IC50 = 17310.0 nM 4.76
CHEMBL2323504 — IC50 = 19250.0 nM 4.72
CHEMBL2323475 — IC50 = 19510.0 nM 4.71
CHEMBL2323516 — IC50 = 21130.0 nM 4.67
CHEMBL2323488 — IC50 = 23250.0 nM 4.63
CHEMBL2323483 — IC50 = 23990.0 nM 4.62
CHEMBL2323520 — IC50 = 27350.0 nM 4.56
CHEMBL2323502 — IC50 = 32990.0 nM 4.48
CHEMBL2323517 — IC50 = 33740.0 nM 4.47
CHEMBL2323474 — IC50 = 35730.0 nM 4.45
CHEMBL6 INDOMETHACIN IC50 = 36530.0 nM 4.44
CHEMBL2323494 — IC50 = 38220.0 nM 4.42
CHEMBL2323500 — IC50 = 39910.0 nM 4.40
CHEMBL2323503 — IC50 = 39910.0 nM 4.40
CHEMBL2323499 — IC50 = 39900.0 nM 4.40
CHEMBL2323518 — IC50 = 40430.0 nM 4.39
CHEMBL2323472 — IC50 = 40740.0 nM 4.39
CHEMBL2323491 — IC50 = 42740.0 nM 4.37
CHEMBL2323478 — IC50 = 43590.0 nM 4.36
CHEMBL2323473 — IC50 = 45140.0 nM 4.34
CHEMBL2323525 — IC50 = 48200.0 nM 4.32
CHEMBL2323508 — IC50 = 49570.0 nM 4.30
CHEMBL2323490 — IC50 = 50130.0 nM 4.30
CHEMBL2323522 — IC50 = 53650.0 nM 4.27
CHEMBL179587 — IC50 = 54500.0 nM 4.26
CHEMBL2323521 — IC50 = 55340.0 nM 4.26
CHEMBL178687 — IC50 = 56530.0 nM 4.25
CHEMBL2323495 — IC50 = 59390.0 nM 4.23
CHEMBL178499 — IC50 = 60970.0 nM 4.21
CHEMBL2172787 — IC50 = 65390.0 nM 4.18
CHEMBL2323515 — IC50 = 72300.0 nM 4.14
CHEMBL2323481 — IC50 = 80950.0 nM 4.09
CHEMBL2323511 — IC50 = 93000.0 nM 4.03
CHEMBL1058 DESCHLOROBENZOYL INDOMETHACIN IC50 = 100000.0 nM 4.00
CHEMBL2323487 — IC50 = 100000.0 nM 4.00
CHEMBL2323505 — IC50 = 100000.0 nM 4.00
CHEMBL503179 — IC50 = 100000.0 nM 4.00
CHEMBL2323523 — IC50 = 100000.0 nM 4.00