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Assay Detail

CHEMBL3411010

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

Binding
Inhibition of human recombinant macrophage migration inhibitory factor tautomerase activity expressed in Escherichia coli DH5alpha using L-dopachrome methyl ester as substrate incubated for 5 mins prior to substrate addition measured for 2 mins by spectrophotometric analysis
26
Total Activities
26
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

Macrophage migration inhibitory factor (CHEMBL2085)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Multiple binding modes of isothiocyanates that inhibit macrophage migration inhibitory factor.
Spencer ES, Dale EJ, Gommans AL, Rutledge MT, Vo CT, Nakatani Y, Gamble AB, Smith RA, Wilbanks SM, Hampton MB, Tyndall JD.
Eur J Med Chem (2015) 93 : 501 -510
PubMed 25743213 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 26 5.35 6.28

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL55285 BENZYL ISOTHIOCYANATE 1 6.28
CHEMBL81201 1 6.16
CHEMBL3409229 1 6.12
CHEMBL2251720 1-PHENYLETHYL ISOTHIOCYANATE 1 6.00
CHEMBL3409223 1 5.96
CHEMBL233248 ALLYL ISOTHIOCYANATE 1.0 1 5.96
CHEMBL3409230 1 5.54
CHEMBL3409218 1 5.44
CHEMBL48802 SULFORAPHANE 3.0 1 4.96
CHEMBL151649 PHENETHYLISOTHIOCYANATE 1 4.80
CHEMBL3409224 1 4.55
CHEMBL3409220 1 4.54
CHEMBL3409221 1 4.40
CHEMBL3409219 1 4.21
CHEMBL2074871 PHENETHYL ISOCYANATE 1 -
CHEMBL2251721 BENZYL THIOCYANATE 1 -
CHEMBL3409409 1 -
CHEMBL3409412 1 -
CHEMBL3409228 1 -
CHEMBL3409410 1 -
CHEMBL3409222 1 -
CHEMBL2151314 1 -
CHEMBL3409411 1 -
CHEMBL3409225 1 -
CHEMBL3409226 1 -
CHEMBL3409227 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL55285 BENZYL ISOTHIOCYANATE IC50 = 530.0 nM 6.28
CHEMBL81201 IC50 = 700.0 nM 6.16
CHEMBL3409229 IC50 = 750.0 nM 6.12
CHEMBL2251720 1-PHENYLETHYL ISOTHIOCYANATE IC50 = 1000.0 nM 6.00
CHEMBL3409223 IC50 = 1100.0 nM 5.96
CHEMBL233248 ALLYL ISOTHIOCYANATE IC50 = 1100.0 nM 5.96
CHEMBL3409230 IC50 = 2900.0 nM 5.54
CHEMBL3409218 IC50 = 3600.0 nM 5.44
CHEMBL48802 SULFORAPHANE IC50 = 11000.0 nM 4.96
CHEMBL151649 PHENETHYLISOTHIOCYANATE IC50 = 16000.0 nM 4.80
CHEMBL3409224 IC50 = 28000.0 nM 4.55
CHEMBL3409220 IC50 = 29000.0 nM 4.54
CHEMBL3409221 IC50 = 40000.0 nM 4.40
CHEMBL3409219 IC50 = 62000.0 nM 4.21
CHEMBL2074871 PHENETHYL ISOCYANATE IC50 - -
CHEMBL2251721 BENZYL THIOCYANATE IC50 - -
CHEMBL3409409 IC50 - -
CHEMBL3409412 IC50 - -
CHEMBL3409228 IC50 - -
CHEMBL3409410 IC50 - -
CHEMBL3409222 IC50 - -
CHEMBL2151314 IC50 - -
CHEMBL3409411 IC50 - -
CHEMBL3409225 IC50 - -
CHEMBL3409226 IC50 - -
CHEMBL3409227 IC50 - -