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Assay Detail

CHEMBL708551

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Binding
Inhibitory constant against matrix metalloprotease-3
40
Total Activities
40
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

Stromelysin-1 (CHEMBL283)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

A new concept for multidimensional selection of ligand conformations (MultiSelect) and multidimensional scoring (MultiScore) of protein-ligand binding affinities.
Terp GE, Johansen BN, Christensen IT, Jørgensen FS.
J Med Chem (2001) 44 : 2333 -2343
PubMed 11428927 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 40 7.21 9.10

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL76158 1 9.10
CHEMBL308533 1 9.02
CHEMBL306608 1 8.86
CHEMBL264859 1 8.76
CHEMBL74308 1 8.62
CHEMBL77663 1 8.58
CHEMBL306947 1 8.56
CHEMBL74040 1 8.53
CHEMBL310037 1 8.38
CHEMBL415074 1 8.26
CHEMBL77057 1 8.23
CHEMBL306033 1 8.20
CHEMBL422058 1 8.20
CHEMBL311397 1 8.14
CHEMBL312076 1 8.08
CHEMBL75403 1 8.08
CHEMBL308511 1 7.87
CHEMBL77659 1 7.65
CHEMBL77754 1 7.60
CHEMBL77808 1 7.11
CHEMBL306256 1 7.09
CHEMBL76519 1 7.04
CHEMBL73803 1 6.75
CHEMBL76869 1 6.56
CHEMBL306177 1 6.49
CHEMBL420376 1 6.45
CHEMBL75148 1 6.45
CHEMBL78335 1 6.42
CHEMBL307365 1 6.33
CHEMBL74977 1 6.15

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL76158 Ki = 0.8 nM 9.10
CHEMBL308533 Ki = 0.96 nM 9.02
CHEMBL306608 Ki = 1.38 nM 8.86
CHEMBL264859 Ki = 1.73 nM 8.76
CHEMBL74308 Ki = 2.39 nM 8.62
CHEMBL77663 Ki = 2.61 nM 8.58
CHEMBL306947 Ki = 2.75 nM 8.56
CHEMBL74040 Ki = 2.98 nM 8.53
CHEMBL310037 Ki = 4.16 nM 8.38
CHEMBL415074 Ki = 5.44 nM 8.26
CHEMBL77057 Ki = 5.87 nM 8.23
CHEMBL306033 Ki = 6.26 nM 8.20
CHEMBL422058 Ki = 6.35 nM 8.20
CHEMBL311397 Ki = 7.31 nM 8.14
CHEMBL75403 Ki = 8.3 nM 8.08
CHEMBL312076 Ki = 8.24 nM 8.08
CHEMBL308511 Ki = 13.5 nM 7.87
CHEMBL77659 Ki = 22.2 nM 7.65
CHEMBL77754 Ki = 25.3 nM 7.60
CHEMBL77808 Ki = 77.0 nM 7.11
CHEMBL306256 Ki = 81.5 nM 7.09
CHEMBL76519 Ki = 90.3 nM 7.04
CHEMBL73803 Ki = 177.0 nM 6.75
CHEMBL76869 Ki = 277.0 nM 6.56
CHEMBL306177 Ki = 321.0 nM 6.49
CHEMBL420376 Ki = 358.0 nM 6.45
CHEMBL75148 Ki = 353.0 nM 6.45
CHEMBL78335 Ki = 384.0 nM 6.42
CHEMBL307365 Ki = 472.0 nM 6.33
CHEMBL74977 Ki = 701.0 nM 6.15
CHEMBL77461 Ki = 834.0 nM 6.08
CHEMBL307211 Ki = 952.0 nM 6.02
CHEMBL432346 Ki = 952.0 nM 6.02
CHEMBL309067 Ki = 1110.0 nM 5.96
CHEMBL77956 Ki = 1090.0 nM 5.96
CHEMBL78047 Ki = 1470.0 nM 5.83
CHEMBL307027 Ki = 1600.0 nM 5.80
CHEMBL307207 Ki = 3120.0 nM 5.51
CHEMBL306779 Ki = 8400.0 nM 5.08
CHEMBL91055 Ki = 20000.0 nM 4.70