Assay Detail
Binding
CHEMBL4617065
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Inhibition of recombinant human MMP13 catalytic domain (Tyr104 to Asn274 residues) expressed in Escherichia coli cells using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2/TQ3-GABA-Pro-Cha-Abu-Smc-His-Ala-Dab(6'-TAMRA)-Ala-Lys-NH2 as fluorogenic substrate preincubated for 15 mins followed by substrate addition measured after 2 to 4 hrs by fluorometric assay
44
Total Activities
44
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 |
Publication
Virtual screening identification and chemical optimization of substituted 2-arylbenzimidazoles as new non-zinc-binding MMP-2 inhibitors.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 44 | 4.76 | 5.75 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL4647123 | — | — | 1 | 5.75 |
| CHEMBL4639311 | — | — | 1 | 5.66 |
| CHEMBL4634914 | — | — | 1 | 5.41 |
| CHEMBL4640667 | — | — | 1 | 5.41 |
| CHEMBL4642399 | — | — | 1 | 5.21 |
| CHEMBL4636483 | — | — | 1 | 5.19 |
| CHEMBL4637824 | — | — | 1 | 5.19 |
| CHEMBL1965818 | — | — | 1 | 5.14 |
| CHEMBL477841 | — | — | 1 | 5.12 |
| CHEMBL4285334 | — | — | 1 | 5.12 |
| CHEMBL522613 | — | — | 1 | 5.06 |
| CHEMBL4648156 | — | — | 1 | 5.03 |
| CHEMBL4635076 | — | — | 1 | 4.98 |
| CHEMBL4640215 | — | — | 1 | 4.96 |
| CHEMBL4643922 | — | — | 1 | 4.96 |
| CHEMBL1483847 | — | — | 1 | 4.92 |
| CHEMBL4647266 | — | — | 1 | 4.82 |
| CHEMBL4645291 | — | — | 1 | 4.81 |
| CHEMBL4640970 | — | — | 1 | 4.75 |
| CHEMBL4635438 | — | — | 1 | 4.72 |
| CHEMBL4636536 | — | — | 1 | 4.70 |
| CHEMBL4646265 | — | — | 1 | 4.68 |
| CHEMBL421666 | — | — | 1 | 4.68 |
| CHEMBL4639945 | — | — | 1 | 4.65 |
| CHEMBL4646530 | — | — | 1 | 4.48 |
| CHEMBL204153 | — | — | 1 | 4.46 |
| CHEMBL4647857 | — | — | 1 | 4.37 |
| CHEMBL4646018 | — | — | 1 | 4.33 |
| CHEMBL4634529 | — | — | 1 | 4.30 |
| CHEMBL4638078 | — | — | 1 | 4.28 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL4647123 | — | IC50 | = | 1800.0 | nM | 5.75 |
| CHEMBL4639311 | — | IC50 | = | 2200.0 | nM | 5.66 |
| CHEMBL4640667 | — | IC50 | = | 3900.0 | nM | 5.41 |
| CHEMBL4634914 | — | IC50 | = | 3900.0 | nM | 5.41 |
| CHEMBL4642399 | — | IC50 | = | 6100.0 | nM | 5.21 |
| CHEMBL4636483 | — | IC50 | = | 6500.0 | nM | 5.19 |
| CHEMBL4637824 | — | IC50 | = | 6500.0 | nM | 5.19 |
| CHEMBL1965818 | — | IC50 | = | 7300.0 | nM | 5.14 |
| CHEMBL477841 | — | IC50 | = | 7500.0 | nM | 5.12 |
| CHEMBL4285334 | — | IC50 | = | 7500.0 | nM | 5.12 |
| CHEMBL522613 | — | IC50 | = | 8800.0 | nM | 5.06 |
| CHEMBL4648156 | — | IC50 | = | 9400.0 | nM | 5.03 |
| CHEMBL4635076 | — | IC50 | = | 10500.0 | nM | 4.98 |
| CHEMBL4640215 | — | IC50 | = | 11000.0 | nM | 4.96 |
| CHEMBL4643922 | — | IC50 | = | 10900.0 | nM | 4.96 |
| CHEMBL1483847 | — | IC50 | = | 12000.0 | nM | 4.92 |
| CHEMBL4647266 | — | IC50 | = | 15200.0 | nM | 4.82 |
| CHEMBL4645291 | — | IC50 | = | 15500.0 | nM | 4.81 |
| CHEMBL4640970 | — | IC50 | = | 17900.0 | nM | 4.75 |
| CHEMBL4635438 | — | IC50 | = | 19000.0 | nM | 4.72 |
| CHEMBL4636536 | — | IC50 | = | 20000.0 | nM | 4.70 |
| CHEMBL421666 | — | IC50 | = | 21000.0 | nM | 4.68 |
| CHEMBL4646265 | — | IC50 | = | 21000.0 | nM | 4.68 |
| CHEMBL4639945 | — | IC50 | = | 22200.0 | nM | 4.65 |
| CHEMBL4646530 | — | IC50 | = | 33000.0 | nM | 4.48 |
| CHEMBL204153 | — | IC50 | = | 35000.0 | nM | 4.46 |
| CHEMBL4647857 | — | IC50 | = | 43000.0 | nM | 4.37 |
| CHEMBL4646018 | — | IC50 | = | 47000.0 | nM | 4.33 |
| CHEMBL4634529 | — | IC50 | = | 50000.0 | nM | 4.30 |
| CHEMBL4638078 | — | IC50 | = | 52000.0 | nM | 4.28 |
| CHEMBL4633399 | — | IC50 | = | 73000.0 | nM | 4.14 |
| CHEMBL4640244 | — | IC50 | = | 81200.0 | nM | 4.09 |
| CHEMBL4644146 | — | IC50 | = | 91000.0 | nM | 4.04 |
| CHEMBL1277658 | — | IC50 | = | 94000.0 | nM | 4.03 |
| CHEMBL4641067 | — | IC50 | = | 93000.0 | nM | 4.03 |
| CHEMBL4641864 | — | IC50 | = | 100000.0 | nM | 4.00 |
| CHEMBL4638723 | — | IC50 | > | 100000.0 | nM | - |
| CHEMBL473361 | — | IC50 | > | 100000.0 | nM | - |
| CHEMBL4638748 | — | IC50 | > | 100000.0 | nM | - |
| CHEMBL4632444 | — | IC50 | > | 100000.0 | nM | - |
| CHEMBL93118 | — | IC50 | > | 100000.0 | nM | - |
| CHEMBL4636104 | — | IC50 | > | 100000.0 | nM | - |
| CHEMBL4648990 | — | IC50 | > | 100000.0 | nM | - |
| CHEMBL4632565 | — | IC50 | > | 100000.0 | nM | - |