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Assay Detail

CHEMBL814136

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

Binding
pKi value expresses binding affinity against thermolysin pKi = -logKi (where Ki is in mol/L)
ChEMBL ↗
76
Total Activities
76
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Confidence 8 — Homologous single protein target
Curated By Expert

Target

Thermolysin (CHEMBL3392) ↗
Type SINGLE PROTEIN
Organism Bacillus thermoproteolyticus

Publication

Development of new hydrogen-bond descriptors and their application to comparative molecular field analyses.
Böhm M, Klebe G.
J Med Chem (2002) 45 : 1585 -1597
PubMed 11931613 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 76 6.12 10.17

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL43341 — — 1 10.17
CHEMBL38873 — — 1 8.82
CHEMBL43176 — — 1 8.04
CHEMBL41348 — — 1 7.96
CHEMBL43228 — — 1 7.78
CHEMBL40208 — — 1 7.73
CHEMBL41500 — — 1 7.72
CHEMBL41289 — — 1 7.55
CHEMBL319299 — — 1 7.47
CHEMBL287732 — — 1 7.35
CHEMBL289703 — — 1 7.28
CHEMBL436544 — — 1 7.18
CHEMBL290692 — — 1 7.12
CHEMBL41376 — — 1 6.74
CHEMBL288359 — — 1 6.66
CHEMBL42922 — — 1 6.57
CHEMBL290023 — — 1 6.52
CHEMBL2372512 — — 1 6.44
CHEMBL432673 — — 1 6.39
CHEMBL442732 — — 1 6.37
CHEMBL2372437 — — 1 6.32
CHEMBL37740 — — 1 6.32
CHEMBL289503 — — 1 6.22
CHEMBL2372439 — — 1 6.18
CHEMBL2372434 — — 1 6.18
CHEMBL41137 — — 1 6.17
CHEMBL2372446 — — 1 6.12
CHEMBL289509 — — 1 6.12
CHEMBL40871 — — 1 6.07
CHEMBL43692 — — 1 5.85

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL43341 — Ki = 0.06761 nM 10.17
CHEMBL38873 — Ki = 1.514 nM 8.82
CHEMBL43176 — Ki = 9.12 nM 8.04
CHEMBL41348 — Ki = 10.96 nM 7.96
CHEMBL43228 — Ki = 16.6 nM 7.78
CHEMBL40208 — Ki = 18.62 nM 7.73
CHEMBL41500 — Ki = 19.05 nM 7.72
CHEMBL41289 — Ki = 28.18 nM 7.55
CHEMBL319299 — Ki = 33.88 nM 7.47
CHEMBL287732 — Ki = 44.67 nM 7.35
CHEMBL289703 — Ki = 52.48 nM 7.28
CHEMBL436544 — Ki = 66.07 nM 7.18
CHEMBL290692 — Ki = 75.86 nM 7.12
CHEMBL41376 — Ki = 181.97 nM 6.74
CHEMBL288359 — Ki = 218.78 nM 6.66
CHEMBL42922 — Ki = 269.15 nM 6.57
CHEMBL290023 — Ki = 302.0 nM 6.52
CHEMBL2372512 — Ki = 363.08 nM 6.44
CHEMBL432673 — Ki = 407.38 nM 6.39
CHEMBL442732 — Ki = 426.58 nM 6.37
CHEMBL2372437 — Ki = 478.63 nM 6.32
CHEMBL37740 — Ki = 478.63 nM 6.32
CHEMBL289503 — Ki = 602.56 nM 6.22
CHEMBL2372439 — Ki = 660.69 nM 6.18
CHEMBL2372434 — Ki = 660.69 nM 6.18
CHEMBL41137 — Ki = 676.08 nM 6.17
CHEMBL289509 — Ki = 758.58 nM 6.12
CHEMBL2372446 — Ki = 758.58 nM 6.12
CHEMBL40871 — Ki = 851.14 nM 6.07
CHEMBL43692 — Ki = 1412.54 nM 5.85
CHEMBL413073 — Ki = 1445.44 nM 5.84
CHEMBL287773 — Ki = 1698.24 nM 5.77
CHEMBL288141 — Ki = 1819.7 nM 5.74
CHEMBL10247 THIORPHAN Ki = 1819.7 nM 5.74
CHEMBL38405 — Ki = 2290.87 nM 5.64
CHEMBL40641 — Ki = 2570.4 nM 5.59
CHEMBL41693 — Ki = 2691.53 nM 5.57
CHEMBL289084 — Ki = 2818.38 nM 5.55
CHEMBL2372429 — Ki = 6918.31 nM 5.16
CHEMBL41913 — Ki = 8912.51 nM 5.05
CHEMBL287723 — Ki = 12882.5 nM 4.89
CHEMBL2372510 — Ki = 12882.5 nM 4.89
CHEMBL418619 — Ki = 19952.62 nM 4.70
CHEMBL40460 — Ki = 23988.33 nM 4.62
CHEMBL290979 — Ki = 30199.52 nM 4.52
CHEMBL2372443 — Ki = 38904.51 nM 4.41
CHEMBL39974 — Ki = 41686.94 nM 4.38
CHEMBL289576 — Ki = 47863.01 nM 4.32
CHEMBL38496 — Ki = 53703.18 nM 4.27
CHEMBL41492 — Ki = 72443.6 nM 4.14