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Assay Detail

CHEMBL4138488

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

Binding
Inhibition of full-length GST-fused human CBS using cysteine/homocysteine as substrate assessed as decrease in H2S production preincubated for 3 mins in presence of homocysteine and lead nitrate followed by cysteine addition
12
Total Activities
12
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

Cystathionine beta-synthase (CHEMBL3399911)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Discovery of selective cystathionine β-synthase inhibitors by high-throughput screening with a fluorescent thiol probe.
Niu W, Wu P, Chen F, Wang J, Shang X, Xu C.
Medchemcomm (2017) 8 : 198 -201
PubMed 30108705 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 12 5.10 5.51

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL286494 HYPERICIN 3.0 1 5.51
CHEMBL347862 CARBOXYMETHOXYLAMINE 1 5.40
CHEMBL4160717 1 5.23
CHEMBL4167976 1 5.21
CHEMBL455348 1 5.13
CHEMBL4164543 1 5.11
CHEMBL4172426 1 5.09
CHEMBL220745 PODOCARPUSFLAVONE A 1 5.05
CHEMBL1172216 SIKOKIANIN C 1 5.04
CHEMBL1208973 CUPRESSUFLAVONE 1 4.94
CHEMBL65320 AGATHISFLAVONE 1 4.77
CHEMBL164 MYRICETIN 1 4.73

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL286494 HYPERICIN IC50 = 3100.0 nM 5.51
CHEMBL347862 CARBOXYMETHOXYLAMINE IC50 = 4000.0 nM 5.40
CHEMBL4160717 IC50 = 5900.0 nM 5.23
CHEMBL4167976 IC50 = 6200.0 nM 5.21
CHEMBL455348 IC50 = 7400.0 nM 5.13
CHEMBL4164543 IC50 = 7800.0 nM 5.11
CHEMBL4172426 IC50 = 8100.0 nM 5.09
CHEMBL220745 PODOCARPUSFLAVONE A IC50 = 8900.0 nM 5.05
CHEMBL1172216 SIKOKIANIN C IC50 = 9200.0 nM 5.04
CHEMBL1208973 CUPRESSUFLAVONE IC50 = 11500.0 nM 4.94
CHEMBL65320 AGATHISFLAVONE IC50 = 17100.0 nM 4.77
CHEMBL164 MYRICETIN IC50 = 18800.0 nM 4.73