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Assay Detail

CHEMBL974339

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Binding
Inhibition of MMP13
ChEMBL ↗
64
Total Activities
64
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

Collagenase 3 (CHEMBL280) ↗
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Discovery of potent, selective, and orally active carboxylic acid based inhibitors of matrix metalloproteinase-13.
Monovich LG, Tommasi RA, Fujimoto RA, Blancuzzi V, Clark K, Cornell WD, Doti R, Doughty J, Fang J, Farley D, Fitt J, Ganu V, Goldberg R, Goldstein R, Lavoie S, Kulathila R, Macchia W, Parker DT, Melton R, O'Byrne E, Pastor G, Pellas T, Quadros E, Reel N, Roland DM, Sakane Y, Singh H, Skiles J, Somers J, Toscano K, Wigg A, Zhou S, Zhu L, Shieh WC, Xue S, McQuire LW.
J Med Chem (2009) 52 : 3523 -3538
PubMed 19422229 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 64 8.41 9.52

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL512061 — — 1 9.52
CHEMBL440498 CTS-1027 2.0 1 9.52
CHEMBL512081 — — 1 9.52
CHEMBL466237 — — 1 9.40
CHEMBL469138 — — 1 9.40
CHEMBL466059 — — 1 9.30
CHEMBL468101 — — 1 9.30
CHEMBL253680 — — 1 9.30
CHEMBL468731 — — 1 9.30
CHEMBL499159 — — 1 9.22
CHEMBL466024 — — 1 9.22
CHEMBL467262 — — 1 9.22
CHEMBL467687 — — 1 9.15
CHEMBL494824 — — 1 9.15
CHEMBL467257 — — 1 9.15
CHEMBL466656 — — 1 9.12
CHEMBL468096 — — 1 9.10
CHEMBL466060 — — 1 9.10
CHEMBL466249 — — 1 9.10
CHEMBL512613 — — 1 9.05
CHEMBL492384 — — 1 9.05
CHEMBL511433 — — 1 9.05
CHEMBL512275 — — 1 9.00
CHEMBL494823 — — 1 8.92
CHEMBL468737 — — 1 8.89
CHEMBL467459 — — 1 8.89
CHEMBL512237 — — 1 8.85
CHEMBL493989 — — 1 8.85
CHEMBL466052 — — 1 8.80
CHEMBL494167 — — 1 8.77

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL512061 — IC50 = 0.3 nM 9.52
CHEMBL512081 — IC50 = 0.3 nM 9.52
CHEMBL440498 CTS-1027 IC50 = 0.3 nM 9.52
CHEMBL466237 — IC50 = 0.4 nM 9.40
CHEMBL469138 — IC50 = 0.4 nM 9.40
CHEMBL466059 — IC50 = 0.5 nM 9.30
CHEMBL468101 — IC50 = 0.5 nM 9.30
CHEMBL253680 — IC50 = 0.5 nM 9.30
CHEMBL468731 — IC50 = 0.5 nM 9.30
CHEMBL499159 — IC50 = 0.6 nM 9.22
CHEMBL466024 — IC50 = 0.6 nM 9.22
CHEMBL467262 — IC50 = 0.6 nM 9.22
CHEMBL494824 — IC50 = 0.7 nM 9.15
CHEMBL467257 — IC50 = 0.7 nM 9.15
CHEMBL467687 — IC50 = 0.7 nM 9.15
CHEMBL466656 — IC50 = 0.75 nM 9.12
CHEMBL468096 — IC50 = 0.8 nM 9.10
CHEMBL466060 — IC50 = 0.8 nM 9.10
CHEMBL466249 — IC50 = 0.8 nM 9.10
CHEMBL512613 — IC50 = 0.9 nM 9.05
CHEMBL492384 — IC50 = 0.9 nM 9.05
CHEMBL511433 — IC50 = 0.9 nM 9.05
CHEMBL512275 — IC50 = 1.0 nM 9.00
CHEMBL494823 — IC50 = 1.2 nM 8.92
CHEMBL467459 — IC50 = 1.3 nM 8.89
CHEMBL468737 — IC50 = 1.3 nM 8.89
CHEMBL512237 — IC50 = 1.4 nM 8.85
CHEMBL493989 — IC50 = 1.4 nM 8.85
CHEMBL466052 — IC50 = 1.6 nM 8.80
CHEMBL494167 — IC50 = 1.7 nM 8.77
CHEMBL514138 CGS-27023A IC50 = 1.9 nM 8.72
CHEMBL468095 — IC50 = 2.0 nM 8.70
CHEMBL513148 — IC50 = 2.2 nM 8.66
CHEMBL511895 — IC50 = 2.4 nM 8.62
CHEMBL493177 — IC50 = 2.8 nM 8.55
CHEMBL468739 — IC50 = 3.3 nM 8.48
CHEMBL115653 CIPEMASTAT IC50 = 3.5 nM 8.46
CHEMBL513823 — IC50 = 3.5 nM 8.46
CHEMBL492383 — IC50 = 3.6 nM 8.44
CHEMBL467460 — IC50 = 3.9 nM 8.41
CHEMBL513645 — IC50 = 4.0 nM 8.40
CHEMBL466208 — IC50 = 4.0 nM 8.40
CHEMBL512243 — IC50 = 4.7 nM 8.33
CHEMBL467482 — IC50 = 5.5 nM 8.26
CHEMBL511729 — IC50 = 6.8 nM 8.17
CHEMBL466445 — IC50 = 6.9 nM 8.16
CHEMBL513655 — IC50 = 7.6 nM 8.12
CHEMBL493179 — IC50 = 8.0 nM 8.10
CHEMBL466045 — IC50 = 11.0 nM 7.96
CHEMBL468738 — IC50 = 12.1 nM 7.92