ilomastat [Ligand Id: 7409] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL19611 (Galardin, Gm6001, Ilomastat) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| MMP2/72 kDa type IV collagenase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL333] [GtoPdb: 1629] [UniProtKB: P08253] | ||||||||
| ChEMBL | Inhibition of Matrix metalloprotease-2 | B | 9.24 | pKi | 0.57 | nM | Ki | Bioorg Med Chem Lett (2001) 11: 567-570 [PMID:11229773] |
| ChEMBL | Binding affinity towards 72 kDa gelatinase (Matrix metalloprotease-2) | B | 9.41 | pKi | 0.39 | nM | Ki | J Med Chem (1998) 41: 199-223 [PMID:9457244] |
| ChEMBL | Inhibition of MMP-2 (unknown origin) | B | 9.41 | pKi | 0.39 | nM | Ki | J Med Chem (2022) 65: 10709-10754 [PMID:35969157] |
| ChEMBL | Inhibition of recombinant human MMP2 using MOCAc-Lys-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-N2 as substrate preincubated for 10 to 15 mins followed by substrate addition and measured after 60 to 120 mins by fluorescence based assay | B | 9.55 | pKi | 0.28 | nM | Ki | J Med Chem (2023) 66: 822-836 [PMID:36595440] |
| ChEMBL | Inhibition of MMP2 | B | 8 | pIC50 | 10 | nM | IC50 | J Biol Chem (2007) 282: 27781-27791 [PMID:17623656] |
| ChEMBL | Inhibition of human recombinant MMP2 using Mca-Lys-Pro- Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 2 hrs prior to substrate addition measured every 15 secs for 15 mins by fluorometric analysis | B | 8 | pIC50 | 10 | nM | IC50 | Eur J Med Chem (2013) 62: 379-394 [PMID:23376997] |
| GtoPdb | - | - | 8.15 | pIC50 | 7 | nM | IC50 | Bioorg Med Chem Lett (2004) 14: 47-50 [PMID:14684295] |
| ChEMBL | Inhibitory activity against MMP2 | B | 8.15 | pIC50 | 7 | nM | IC50 | J Med Chem (2006) 49: 456-458 [PMID:16420030] |
| ChEMBL | Inhibition of matrix metalloprotease-2 (MMP-2) | B | 8.15 | pIC50 | 7 | nM | IC50 | Bioorg Med Chem Lett (2004) 14: 47-50 [PMID:14684295] |
| ChEMBL | Inhibition of MMP-2 (unknown origin) | B | 8.96 | pIC50 | 1.1 | nM | IC50 | J Med Chem (2022) 65: 10709-10754 [PMID:35969157] |
| ChEMBL | Activity against Matrix metalloprotease-2 (MMP-2). | B | 8.96 | pIC50 | 1.1 | nM | IC50 | J Med Chem (1998) 41: 1209-1217 [PMID:9548812] |
| ChEMBL | Inhibition of MMP2 | B | 8.96 | pIC50 | 1.1 | nM | IC50 | Bioorg Med Chem (2007) 15: 4753-4766 [PMID:17512742] |
| ChEMBL | Activity Assay: Stock solution of substrate (Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2) was prepared in DMSO at a concentration of 6 mM. Assays were performed in an assay buffer (50 mM Tris pH 7.5, 300 mM NaCl, 10 uM ZnSO4, 5 mM CaCl2, 0.005% Brij-35). The final DMSO concentration in all assays was 1.0%. The used substrate concentration was 3.33 uM. The assays were carried out at 37° C. The fluorescence changes, resulting from the substrate cleavage, were detected using excitation at 340 nm and emission wavelength of 405 nm using a Wallac 1420 Microplate Reader. The reaction mixtures were preincubated with the inhibitors for 30 minutes. The reactions were started by the addition of MMP substrate, and the fluorescence intensity changes were measured after 60 minutes. The obtained fluorescence values were normalized and % inhibition values calculated. Dose response curves were determined from 6 concentration points using three fold dilution steps, each concentration point was determined in dupllicate. IC50 values were calculated from the dose response curves. FIGS. 1-4 show the dose response curves of Compound 1 and ilomastat on on MMP1, -2, -9, -13 activities respectively. | B | 9 | pIC50 | 1 | nM | IC50 | US-9487462-B2. Inhibitors of matrix metalloproteinases (2016) |
| ChEMBL | Inhibition of human recombinant MMP2 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 60 mins followed by substrate addition by fluorimetric analysis | B | 9.03 | pIC50 | 0.94 | nM | IC50 | Bioorg Med Chem Lett (2016) 26: 2174-2178 [PMID:27038494] |
| ChEMBL | Inhibition of human MMP-2 by fluorometric assay | B | 9.37 | pIC50 | 0.42 | nM | IC50 | J Med Chem (2020) 63: 14805-14820 [PMID:33210531] |
| ChEMBL | Inhibition of Matrix metalloprotease-2 | B | 9.4 | pIC50 | 0.4 | nM | IC50 | Bioorg Med Chem Lett (2003) 13: 1783-1786 [PMID:12729664] |
| ChEMBL | Inhibition of human recombinant pro-MMP2 by spectrofluorimeter | B | 9.4 | pIC50 | 0.4 | nM | IC50 | Bioorg Med Chem (2008) 16: 8745-8759 [PMID:18782669] |
| ChEMBL | Inhibition of MMP-2 (unknown origin) assessed as inhibition constant | B | 9.41 | pIC50 | 0.39 | nM | IC50 | Eur J Med Chem (2020) 194: 112260-112260 [PMID:32224379] |
| GtoPdb | - | - | 9.72 | pIC50 | 0.19 | nM | IC50 | J Med Chem (2022) 65: 8493-8510 [PMID:35687819] |
| ChEMBL | Inhibition of recombinant human MMP2 using MOCAc-Lys-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-NH2 as a substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by fluroscence based assay | B | 9.72 | pIC50 | 0.19 | nM | IC50 | J Med Chem (2022) 65: 8493-8510 [PMID:35687819] |
| ChEMBL | Inhibition of recombinant human MMP2 using MOCAc-Lys-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-N2 as substrate preincubated for 10 to 15 mins followed by substrate addition and measured after 60 to 120 mins by fluorescence based assay | B | 9.72 | pIC50 | 0.19 | nM | IC50 | J Med Chem (2023) 66: 822-836 [PMID:36595440] |
| ChEMBL | Inhibition of human matrix metalloprotease-2 | B | 9.98 | pIC50 | 0.1 | nM | IC50 | Bioorg Med Chem Lett (2003) 13: 2843-2846 [PMID:14611841] |
| ADAMTS4/A disintegrin and metalloproteinase with thrombospondin motifs 4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2318] [GtoPdb: 1677] [UniProtKB: O75173] | ||||||||
| ChEMBL | Inhibition of human recombinant ADAMTS4 expressed in HEk293 cells using FAM-AEwLQGRPISIAK-TAMRA as substrate measured for 15 mins by fluorometric analysis | B | 6.32 | pIC50 | 480 | nM | IC50 | Eur J Med Chem (2013) 62: 379-394 [PMID:23376997] |
| ADAMTS5/A disintegrin and metalloproteinase with thrombospondin motifs 5 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2285] [GtoPdb: 1678] [UniProtKB: Q9UNA0] | ||||||||
| ChEMBL | Inhibition of human recombinant ADAMTS5 expressed in HEK293 cells using Abz-TESEwSRGAIY-Dpa-KK as substrate measured for 2 hrs by fluorometric analysis | B | 6.3 | pIC50 | 500 | nM | IC50 | Eur J Med Chem (2013) 62: 379-394 [PMID:23376997] |
| MMP13/Collagenase 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL280] [GtoPdb: 1637] [UniProtKB: P45452] | ||||||||
| ChEMBL | Inhibition of human recombinant MMP13 catalytic domain | B | 8.28 | pIC50 | 5.2 | nM | IC50 | J Biol Chem (2007) 282: 27781-27791 [PMID:17623656] |
| ChEMBL | Inhibition of human recombinant MMP13 using Mca-Lys-Pro- Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 2 hrs prior to substrate addition measured every 15 secs for 15 mins by fluorometric analysis | B | 8.28 | pIC50 | 5.2 | nM | IC50 | Eur J Med Chem (2013) 62: 379-394 [PMID:23376997] |
| GtoPdb | - | - | 9.55 | pIC50 | 0.28 | nM | IC50 | J Med Chem (2022) 65: 8493-8510 [PMID:35687819] |
| ChEMBL | Inhibition of recombinant human MMP13 using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-NH2 as substrate preincubated for 15 mins followed by substrate addition by fluroscence based assay | B | 9.55 | pIC50 | 0.28 | nM | IC50 | J Med Chem (2022) 65: 8493-8510 [PMID:35687819] |
| ChEMBL | Activity Assay: Stock solution of substrate (Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2) was prepared in DMSO at a concentration of 6 mM. Assays were performed in an assay buffer (50 mM Tris pH 7.5, 300 mM NaCl, 10 uM ZnSO4, 5 mM CaCl2, 0.005% Brij-35). The final DMSO concentration in all assays was 1.0%. The used substrate concentration was 3.33 uM. The assays were carried out at 37° C. The fluorescence changes, resulting from the substrate cleavage, were detected using excitation at 340 nm and emission wavelength of 405 nm using a Wallac 1420 Microplate Reader. The reaction mixtures were preincubated with the inhibitors for 30 minutes. The reactions were started by the addition of MMP substrate, and the fluorescence intensity changes were measured after 60 minutes. The obtained fluorescence values were normalized and % inhibition values calculated. Dose response curves were determined from 6 concentration points using three fold dilution steps, each concentration point was determined in dupllicate. IC50 values were calculated from the dose response curves. FIGS. 1-4 show the dose response curves of Compound 1 and ilomastat on on MMP1, -2, -9, -13 activities respectively. | B | 9.7 | pIC50 | 0.2 | nM | IC50 | US-9487462-B2. Inhibitors of matrix metalloproteinases (2016) |
| ADAM10/Disintegrin and metalloproteinase domain-containing protein 10 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5028] [GtoPdb: 1658] [UniProtKB: O14672] | ||||||||
| ChEMBL | Inhibition of ADAM10 | B | 6.58 | pIC50 | 263 | nM | IC50 | J Med Chem (2009) 52: 5732-5747 [PMID:19715320] |
| GtoPdb | Measured in an in vitro assay. | - | 8.09 | pIC50 | 8.1 | nM | IC50 | Bioorg Med Chem Lett (2004) 14: 6071-4 [PMID:15546732] |
| ChEMBL | In vitro inhibition of A disintegrin and metalloprotease domain 10 (ADAM10) | B | 8.09 | pIC50 | 8.1 | nM | IC50 | Bioorg Med Chem Lett (2004) 14: 6071-6074 [PMID:15546732] |
| ADAM12/Disintegrin and metalloproteinase domain-containing protein 12 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5030] [GtoPdb: 1660] [UniProtKB: O43184] | ||||||||
| ChEMBL | Inhibition of A disintegrin and metalloprotease domain 12 (ADAM12) binding in cell based assay | B | 8.23 | pIC50 | 5.93 | nM | IC50 | Bioorg Med Chem Lett (2004) 14: 6071-6074 [PMID:15546732] |
| GtoPdb | Measured in a cell-based assay. | - | 8.23 | pIC50 | 5.93 | nM | IC50 | Bioorg Med Chem Lett (2004) 14: 6071-4 [PMID:15546732] |
| ADAM17/Disintegrin and metalloproteinase domain-containing protein 17 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3706] [GtoPdb: 1662] [UniProtKB: P78536] | ||||||||
| ChEMBL | Inhibition of TACE | B | 7.88 | pIC50 | 13.1 | nM | IC50 | J Med Chem (2009) 52: 5732-5747 [PMID:19715320] |
| GtoPdb | Measured in an in vitro assay. | - | 8.12 | pIC50 | 7.5 | nM | IC50 | Bioorg Med Chem Lett (2004) 14: 6071-4 [PMID:15546732] |
| ChEMBL | In vitro inhibition of A disintegrin and metalloprotease domain 17 (ADAM17, TACE) | B | 8.12 | pIC50 | 7.5 | nM | IC50 | Bioorg Med Chem Lett (2004) 14: 6071-6074 [PMID:15546732] |
| ADAM9/Disintegrin and metalloproteinase domain-containing protein 9 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5982] [GtoPdb: 1657] [UniProtKB: Q13443] | ||||||||
| ChEMBL | Inhibition of ADAM9 | B | 7.25 | pIC50 | 56.3 | nM | IC50 | J Med Chem (2009) 52: 5732-5747 [PMID:19715320] |
| GtoPdb | Measured in an in vitro assay. | - | 9 | pIC50 | 1 | nM | IC50 | Bioorg Med Chem Lett (2004) 14: 6071-4 [PMID:15546732] |
| ChEMBL | In vitro inhibition of A disintegrin and metalloprotease domain 9 (ADAM9) | B | 9 | pIC50 | 1 | nM | IC50 | Bioorg Med Chem Lett (2004) 14: 6071-6074 [PMID:15546732] |
| MMP1/Interstitial collagenase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL332] [GtoPdb: 1628] [UniProtKB: P03956] | ||||||||
| ChEMBL | Evaluated for inhibitory activity against Human fibroblast collagenase (HFC) | B | 8.7 | pKi | 2 | nM | Ki | Bioorg Med Chem Lett (1995) 5: 337-342 |
| ChEMBL | Inhibition of human fibroblast collagenase, matrix metalloprotease-1 | B | 8.7 | pKi | 2 | nM | Ki | Bioorg Med Chem Lett (1995) 5: 349-352 |
| ChEMBL | Inhibition of MMP-1 (unknown origin) | B | 9.4 | pKi | 0.4 | nM | Ki | J Med Chem (2022) 65: 10709-10754 [PMID:35969157] |
| GtoPdb | - | - | 8.22 | pIC50 | 6 | nM | IC50 | Bioorg Med Chem Lett (2004) 14: 47-50 [PMID:14684295] |
| ChEMBL | Inhibition of matrix metalloprotease-1 (MMP-1) | B | 8.22 | pIC50 | 6 | nM | IC50 | Bioorg Med Chem Lett (2004) 14: 47-50 [PMID:14684295] |
| ChEMBL | Inhibitory activity against MMP1 | B | 8.22 | pIC50 | 6 | nM | IC50 | J Med Chem (2006) 49: 456-458 [PMID:16420030] |
| ChEMBL | Inhibition of MMP1 | B | 8.48 | pIC50 | 3.3 | nM | IC50 | J Biol Chem (2007) 282: 27781-27791 [PMID:17623656] |
| ChEMBL | Inhibition of human recombinant MMP1 using Mca-Lys-Pro- Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 2 hrs prior to substrate addition measured every 15 secs for 15 mins by fluorometric analysis | B | 8.48 | pIC50 | 3.3 | nM | IC50 | Eur J Med Chem (2013) 62: 379-394 [PMID:23376997] |
| ChEMBL | Inhibition of matrix metalloprotease-1 | B | 8.52 | pIC50 | 3 | nM | IC50 | Bioorg Med Chem Lett (2003) 13: 1783-1786 [PMID:12729664] |
| ChEMBL | Inhibition of human recombinant interstitial collagenase MMP-1 at 100 uM | B | 8.7 | pIC50 | 2 | nM | IC50 | Bioorg Med Chem Lett (1995) 5: 1637-1642 |
| ChEMBL | Activity against Matrix metalloprotease-1 (MMP-1). | B | 8.82 | pIC50 | 1.5 | nM | IC50 | J Med Chem (1998) 41: 1209-1217 [PMID:9548812] |
| ChEMBL | Inhibition of MMP1 | B | 8.82 | pIC50 | 1.5 | nM | IC50 | Bioorg Med Chem (2007) 15: 4753-4766 [PMID:17512742] |
| ChEMBL | Inhibition of MMP-1 (unknown origin) | B | 8.82 | pIC50 | 1.5 | nM | IC50 | J Med Chem (2022) 65: 10709-10754 [PMID:35969157] |
| GtoPdb | - | - | 9.25 | pIC50 | 0.56 | nM | IC50 | J Med Chem (2022) 65: 8493-8510 [PMID:35687819] |
| ChEMBL | Inhibition of recombinant human MMP1 using MOCAc-Lys-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-NH2 as substrate preincubated for 15 mins followed by substrate addition by fluroscence based assay | B | 9.25 | pIC50 | 0.56 | nM | IC50 | J Med Chem (2022) 65: 8493-8510 [PMID:35687819] |
| ChEMBL | Activity Assay: Stock solution of substrate (Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2) was prepared in DMSO at a concentration of 6 mM. Assays were performed in an assay buffer (50 mM Tris pH 7.5, 300 mM NaCl, 10 uM ZnSO4, 5 mM CaCl2, 0.005% Brij-35). The final DMSO concentration in all assays was 1.0%. The used substrate concentration was 3.33 uM. The assays were carried out at 37° C. The fluorescence changes, resulting from the substrate cleavage, were detected using excitation at 340 nm and emission wavelength of 405 nm using a Wallac 1420 Microplate Reader. The reaction mixtures were preincubated with the inhibitors for 30 minutes. The reactions were started by the addition of MMP substrate, and the fluorescence intensity changes were measured after 60 minutes. The obtained fluorescence values were normalized and % inhibition values calculated. Dose response curves were determined from 6 concentration points using three fold dilution steps, each concentration point was determined in dupllicate. IC50 values were calculated from the dose response curves. FIGS. 1-4 show the dose response curves of Compound 1 and ilomastat on on MMP1, -2, -9, -13 activities respectively. | B | 9.3 | pIC50 | 0.5 | nM | IC50 | US-9487462-B2. Inhibitors of matrix metalloproteinases (2016) |
| ChEMBL | Inhibition of human recombinant pro-MMP1 by spectrofluorimeter | B | 9.4 | pIC50 | 0.4 | nM | IC50 | Bioorg Med Chem (2008) 16: 8745-8759 [PMID:18782669] |
| ChEMBL | Inhibition of MMP1 | B | 9.7 | pIC50 | 0.2 | nM | IC50 | J Med Chem (2011) 54: 4350-4364 [PMID:21548582] |
| MMP12/Macrophage metalloelastase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4393] [GtoPdb: 1636] [UniProtKB: P39900] | ||||||||
| ChEMBL | Inhibition of human recombinant MMP12 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate incubated for 10 mins prior to substrate addition by spectrophotometry | B | 8.42 | pKi | 3.8 | nM | Ki | Medchemcomm (2013) 4: 432-442 |
| ChEMBL | Time dependent inhibition of human recombinant MMP12 by SPR assay | B | 9.28 | pKi | 0.52 | nM | Ki | Medchemcomm (2013) 4: 432-442 |
| ChEMBL | Inhibitory activity against MMP12 | B | 7.89 | pIC50 | 13 | nM | IC50 | J Med Chem (2006) 49: 456-458 [PMID:16420030] |
| ChEMBL | Inhibition of matrix metalloprotease-12 (MMP-12) | B | 7.89 | pIC50 | 13 | nM | IC50 | Bioorg Med Chem Lett (2004) 14: 47-50 [PMID:14684295] |
| GtoPdb | - | - | 7.89 | pIC50 | 13 | nM | IC50 | Bioorg Med Chem Lett (2004) 14: 47-50 [PMID:14684295] |
| ChEMBL | Inhibition of recombinant human MMP12 catalytic domain (Gly106 to Gly26 residues) expressed in Escherichia coli BL21 codon plus using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate by fluorescence assay | B | 8.28 | pIC50 | 5.2 | nM | IC50 | ACS Med Chem Lett (2018) 9: 137-142 [PMID:29456802] |
| ChEMBL | Inhibition of MMP12 catalytic domain | B | 8.29 | pIC50 | 5.1 | nM | IC50 | J Biol Chem (2007) 282: 27781-27791 [PMID:17623656] |
| ChEMBL | Inhibition of recombinant human MMP12 catalytic domain (Gly106 to Gly263 residues) expressed in Escherichia coli BL21 Codon Plus cells using 5-FAM/QXL520 FRET peptide as substrate preincubated for 15 mins followed by substrate addition and measured at 3 mins interval for 60 mins by fluorescence assay | B | 8.62 | pIC50 | 2.4 | nM | IC50 | J Med Chem (2020) 63: 12911-12920 [PMID:33107733] |
| ChEMBL | Inhibition of MMP12 | B | 9 | pIC50 | 1 | nM | IC50 | J Med Chem (2008) 51: 3449-3459 [PMID:18494455] |
| ChEMBL | Inhibition of recombinant human MMP12 using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-NH2 as substrate preincubated for 15 mins followed by substrate addition by fluroscence based assay | B | 9.34 | pIC50 | 0.46 | nM | IC50 | J Med Chem (2022) 65: 8493-8510 [PMID:35687819] |
| GtoPdb | - | - | 9.34 | pIC50 | 0.46 | nM | IC50 | J Med Chem (2022) 65: 8493-8510 [PMID:35687819] |
| MMP7/Matrilysin in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4073] [GtoPdb: 1631] [UniProtKB: P09237] | ||||||||
| ChEMBL | Inhibition of MMP7 | B | 7.48 | pIC50 | 33 | nM | IC50 | J Biol Chem (2007) 282: 27781-27791 [PMID:17623656] |
| GtoPdb | - | - | 8.29 | pIC50 | 5.1 | nM | IC50 | J Med Chem (2022) 65: 8493-8510 [PMID:35687819] |
| ChEMBL | Inhibition of recombinant human MMP7 using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-NH2 as substrate preincubated for 15 mins followed by substrate addition by fluroscence based assay | B | 8.29 | pIC50 | 5.1 | nM | IC50 | J Med Chem (2022) 65: 8493-8510 [PMID:35687819] |
| MMP14/Matrix metalloproteinase-14 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3869] [GtoPdb: 1638] [UniProtKB: P50281] | ||||||||
| ChEMBL | Inhibition of matrix metalloprotease-14 (MMP-14) | B | 7.64 | pIC50 | 23 | nM | IC50 | Bioorg Med Chem Lett (2004) 14: 47-50 [PMID:14684295] |
| ChEMBL | Inhibitory activity against MMP14 | B | 7.64 | pIC50 | 23 | nM | IC50 | J Med Chem (2006) 49: 456-458 [PMID:16420030] |
| GtoPdb | - | - | 7.64 | pIC50 | 23 | nM | IC50 | Bioorg Med Chem Lett (2004) 14: 47-50 [PMID:14684295] |
| ChEMBL | Activity against deletion mutant of MT1-MMP lacking the transmembrane domain (deltaMT1) | B | 7.87 | pIC50 | 13.4 | nM | IC50 | J Med Chem (1998) 41: 1209-1217 [PMID:9548812] |
| ChEMBL | Inhibition of MMP14 | B | 7.87 | pIC50 | 13.4 | nM | IC50 | Bioorg Med Chem (2007) 15: 4753-4766 [PMID:17512742] |
| ChEMBL | Inhibition of MMP-14 (unknown origin) | B | 7.87 | pIC50 | 13.4 | nM | IC50 | J Med Chem (2022) 65: 10709-10754 [PMID:35969157] |
| ChEMBL | Inhibition of human recombinant MMP14 catalytic domain by spectrofluorimeter | B | 8.28 | pIC50 | 5.2 | nM | IC50 | Bioorg Med Chem (2008) 16: 8745-8759 [PMID:18782669] |
| ChEMBL | Inhibition of human recombinant MMP14 catalytic domain using Mca-Lys-Pro- Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 2 hrs prior to substrate addition measured every 15 secs for 15 mins by fluorometric analysis | B | 8.33 | pIC50 | 4.7 | nM | IC50 | Eur J Med Chem (2013) 62: 379-394 [PMID:23376997] |
| ChEMBL | Inhibition of MMP14 catalytic domain | B | 8.33 | pIC50 | 4.7 | nM | IC50 | J Biol Chem (2007) 282: 27781-27791 [PMID:17623656] |
| ChEMBL | Inhibition of recombinant human MMP14 using MOCAc-Lys-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-NH2 as substrate preincubated for 15 mins followed by substrate addition by fluroscence based assay | B | 8.96 | pIC50 | 1.1 | nM | IC50 | J Med Chem (2022) 65: 8493-8510 [PMID:35687819] |
| GtoPdb | - | - | 8.96 | pIC50 | 1.1 | nM | IC50 | J Med Chem (2022) 65: 8493-8510 [PMID:35687819] |
| ChEMBL | Inhibition of MMP14 | B | 9.39 | pIC50 | 0.41 | nM | IC50 | J Med Chem (2011) 54: 4350-4364 [PMID:21548582] |
| MMP15/Matrix metalloproteinase-15 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2963] [GtoPdb: 1639] [UniProtKB: P51511] | ||||||||
| GtoPdb | - | - | 8.1 | pIC50 | 8 | nM | IC50 | Bioorg Med Chem Lett (2004) 14: 47-50 [PMID:14684295] |
| ChEMBL | Inhibition of matrix metalloprotease-15 (MMP-15) | B | 8.22 | pIC50 | 6 | nM | IC50 | Bioorg Med Chem Lett (2004) 14: 47-50 [PMID:14684295] |
| ChEMBL | Inhibitory activity against MMP15 | B | 8.22 | pIC50 | 6 | nM | IC50 | J Med Chem (2006) 49: 456-458 [PMID:16420030] |
| MMP16/Matrix metalloproteinase-16 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2200] [GtoPdb: 1640] [UniProtKB: P51512] | ||||||||
| ChEMBL | Inhibition of matrix metalloprotease-16 (MMP-16) | B | 8.1 | pIC50 | 8 | nM | IC50 | Bioorg Med Chem Lett (2004) 14: 47-50 [PMID:14684295] |
| ChEMBL | Inhibitory activity against MMP16 | B | 8.1 | pIC50 | 8 | nM | IC50 | J Med Chem (2006) 49: 456-458 [PMID:16420030] |
| GtoPdb | - | - | 8.1 | pIC50 | 8 | nM | IC50 | Bioorg Med Chem Lett (2004) 14: 47-50 [PMID:14684295] |
| MMP17/Matrix metalloproteinase-17 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2937] [GtoPdb: 1641] [UniProtKB: Q9ULZ9] | ||||||||
| ChEMBL | Inhibition of MMP17 catalytic domain | B | 8.47 | pIC50 | 3.4 | nM | IC50 | J Biol Chem (2007) 282: 27781-27791 [PMID:17623656] |
| GtoPdb | - | - | 8.47 | pIC50 | 3.4 | nM | IC50 | J Biol Chem (2007) 282: 27781-91 [PMID:17623656] |
| MMP26/Matrix metalloproteinase-26 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4707] [GtoPdb: 1648] [UniProtKB: Q9NRE1] | ||||||||
| ChEMBL | Inhibition of matrix metalloprotease-26 (MMP-26) | B | 7.77 | pIC50 | 17 | nM | IC50 | Bioorg Med Chem Lett (2004) 14: 47-50 [PMID:14684295] |
| ChEMBL | Inhibitory activity against MMP26 | B | 7.77 | pIC50 | 17 | nM | IC50 | J Med Chem (2006) 49: 456-458 [PMID:16420030] |
| GtoPdb | - | - | 7.77 | pIC50 | 17 | nM | IC50 | Bioorg Med Chem Lett (2004) 14: 47-50 [PMID:14684295] |
| MMP9/Matrix metalloproteinase-9 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL321] [GtoPdb: 1633] [UniProtKB: P14780] | ||||||||
| ChEMBL | Inhibition of human Matrix metalloprotease-9 | B | 9.16 | pKi | 0.69 | nM | Ki | Bioorg Med Chem Lett (1995) 5: 349-352 |
| ChEMBL | The compound was tested for its binding affinity towards 92 kDa gelatinase (Matrix metalloprotease-9) | B | 9.24 | pKi | 0.57 | nM | Ki | J Med Chem (1998) 41: 199-223 [PMID:9457244] |
| ChEMBL | Inhibition of MMP-9 (unknown origin) assessed as inhibition constant | B | 9.24 | pKi | 0.57 | nM | Ki | Eur J Med Chem (2020) 194: 112260-112260 [PMID:32224379] |
| ChEMBL | Inhibition of MMP-9 (unknown origin) | B | 9.7 | pKi | 0.2 | nM | Ki | J Med Chem (2022) 65: 10709-10754 [PMID:35969157] |
| GtoPdb | - | - | 7.82 | pIC50 | 15 | nM | IC50 | Bioorg Med Chem Lett (2004) 14: 47-50 [PMID:14684295] |
| ChEMBL | Inhibitory activity against MMP9 | B | 7.82 | pIC50 | 15 | nM | IC50 | J Med Chem (2006) 49: 456-458 [PMID:16420030] |
| ChEMBL | Inhibition of matrix metalloprotease-9 (MMP-9) | B | 7.82 | pIC50 | 15 | nM | IC50 | Bioorg Med Chem Lett (2004) 14: 47-50 [PMID:14684295] |
| ChEMBL | Inhibition of MMP9 | B | 8.17 | pIC50 | 6.7 | nM | IC50 | J Biol Chem (2007) 282: 27781-27791 [PMID:17623656] |
| ChEMBL | Inhibition of recombinant human MMP9 using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-NH2 as substrate preincubated for 15 mins followed by substrate addition by fluroscence based assay | B | 9.01 | pIC50 | 0.98 | nM | IC50 | J Med Chem (2022) 65: 8493-8510 [PMID:35687819] |
| GtoPdb | - | - | 9.03 | pIC50 | 0.93 | nM | IC50 | J Med Chem (2022) 65: 8493-8510 [PMID:35687819] |
| ChEMBL | Inhibition of human recombinant pro-MMP9 by spectrofluorimeter | B | 9.22 | pIC50 | 0.6 | nM | IC50 | Bioorg Med Chem (2008) 16: 8745-8759 [PMID:18782669] |
| ChEMBL | Inhibition of human recombinant MMP9 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 60 mins followed by substrate addition by fluorimetric analysis | B | 9.26 | pIC50 | 0.55 | nM | IC50 | Bioorg Med Chem Lett (2016) 26: 2174-2178 [PMID:27038494] |
| ChEMBL | Inhibition of MMP9 | B | 9.3 | pIC50 | 0.5 | nM | IC50 | Bioorg Med Chem (2007) 15: 4753-4766 [PMID:17512742] |
| ChEMBL | Activity against Matrix metalloprotease-9 (MMP-9). | B | 9.3 | pIC50 | 0.5 | nM | IC50 | J Med Chem (1998) 41: 1209-1217 [PMID:9548812] |
| ChEMBL | Inhibition of MMP-9 (unknown origin) | B | 9.3 | pIC50 | 0.5 | nM | IC50 | J Med Chem (2022) 65: 10709-10754 [PMID:35969157] |
| ChEMBL | Inhibition of human recombinant 92 kDa gelatinase MMP-9 at 100 uM | B | 9.7 | pIC50 | 0.2 | nM | IC50 | Bioorg Med Chem Lett (1995) 5: 1637-1642 |
| ChEMBL | Inhibition of human MMP-9 by fluorometric assay | B | 9.75 | pIC50 | 0.18 | nM | IC50 | J Med Chem (2020) 63: 14805-14820 [PMID:33210531] |
| ChEMBL | Activity Assay: Stock solution of substrate (Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2) was prepared in DMSO at a concentration of 6 mM. Assays were performed in an assay buffer (50 mM Tris pH 7.5, 300 mM NaCl, 10 uM ZnSO4, 5 mM CaCl2, 0.005% Brij-35). The final DMSO concentration in all assays was 1.0%. The used substrate concentration was 3.33 uM. The assays were carried out at 37° C. The fluorescence changes, resulting from the substrate cleavage, were detected using excitation at 340 nm and emission wavelength of 405 nm using a Wallac 1420 Microplate Reader. The reaction mixtures were preincubated with the inhibitors for 30 minutes. The reactions were started by the addition of MMP substrate, and the fluorescence intensity changes were measured after 60 minutes. The obtained fluorescence values were normalized and % inhibition values calculated. Dose response curves were determined from 6 concentration points using three fold dilution steps, each concentration point was determined in dupllicate. IC50 values were calculated from the dose response curves. FIGS. 1-4 show the dose response curves of Compound 1 and ilomastat on on MMP1, -2, -9, -13 activities respectively. | B | 10 | pIC50 | 0.1 | nM | IC50 | US-9487462-B2. Inhibitors of matrix metalloproteinases (2016) |
| ChEMBL | Inhibition of MMP9 | B | 10.3 | pIC50 | 0.05 | nM | IC50 | J Med Chem (2011) 54: 4350-4364 [PMID:21548582] |
| MMP8/Neutrophil collagenase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4588] [GtoPdb: 1632] [UniProtKB: P22894] | ||||||||
| ChEMBL | Inhibition of human Matrix metalloprotease-8 | B | 9 | pKi | <1 | nM | Ki | Bioorg Med Chem Lett (1995) 5: 349-352 |
| ChEMBL | The compound was tested for its binding affinity towards neutrophil collagenase (Matrix metalloprotease-8) | B | 9.74 | pKi | 0.18 | nM | Ki | J Med Chem (1998) 41: 199-223 [PMID:9457244] |
| ChEMBL | Inhibition of MMP-8 (unknown origin) | B | 9.74 | pKi | 0.18 | nM | Ki | J Med Chem (2022) 65: 10709-10754 [PMID:35969157] |
| ChEMBL | Inhibition of MMP8 catalytic domain | B | 8.01 | pIC50 | 9.7 | nM | IC50 | J Biol Chem (2007) 282: 27781-27791 [PMID:17623656] |
| ChEMBL | Inhibition of recombinant human MMP8 using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-NH2 as substrate preincubated for 15 mins followed by substrate addition by fluroscence based assay | B | 8.96 | pIC50 | 1.1 | nM | IC50 | J Med Chem (2022) 65: 8493-8510 [PMID:35687819] |
| GtoPdb | - | - | 8.96 | pIC50 | 1.1 | nM | IC50 | J Med Chem (2022) 65: 8493-8510 [PMID:35687819] |
| MMP3/Stromelysin-1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL283] [GtoPdb: 1630] [UniProtKB: P08254] | ||||||||
| ChEMBL | Inhibition of human fibroblast stromelysin, matrix metalloprotease-3 | B | 7.34 | pKi | 46 | nM | Ki | Bioorg Med Chem Lett (1995) 5: 349-352 |
| ChEMBL | Inhibition of MMP-3 (unknown origin) | B | 7.57 | pKi | 27 | nM | Ki | J Med Chem (2022) 65: 10709-10754 [PMID:35969157] |
| ChEMBL | Inhibition of Matrix metalloprotease-3 | B | 7.59 | pKi | 26 | nM | Ki | Bioorg Med Chem Lett (2001) 11: 567-570 [PMID:11229773] |
| GtoPdb | - | - | 7.49 | pIC50 | 32 | nM | IC50 | J Med Chem (2022) 65: 8493-8510 [PMID:35687819] |
| ChEMBL | Inhibition of recombinant human MMP3 using MOCAc-Lys-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-N2 as substrate preincubated for 15 mins followed by substrate addition by fluroscence based assay | B | 7.49 | pIC50 | 32 | nM | IC50 | J Med Chem (2022) 65: 8493-8510 [PMID:35687819] |
| ChEMBL | Inhibition of human recombinant matrix metalloprotease-3 (Stromelysin) at 100 uM | B | 7.55 | pIC50 | 28 | nM | IC50 | Bioorg Med Chem Lett (1995) 5: 1637-1642 |
| ChEMBL | Inhibition of human recombinant MMP3 catalytic domain by spectrofluorimeter | B | 7.59 | pIC50 | 26 | nM | IC50 | Bioorg Med Chem (2008) 16: 8745-8759 [PMID:18782669] |
| ChEMBL | Inhibition of human MMP-3 by fluorometric assay | B | 7.82 | pIC50 | 15 | nM | IC50 | J Med Chem (2020) 63: 14805-14820 [PMID:33210531] |
| ChEMBL | Inhibition of MMP3 | B | 8.12 | pIC50 | 7.62 | nM | IC50 | J Med Chem (2011) 54: 4350-4364 [PMID:21548582] |
| ChEMBL | Inhibition of MMP3 catalytic domain | B | 8.15 | pIC50 | 7 | nM | IC50 | J Biol Chem (2007) 282: 27781-27791 [PMID:17623656] |
| ChEMBL | Activity against Matrix metalloprotease-3 (MMP-3). | B | 8.72 | pIC50 | 1.9 | nM | IC50 | J Med Chem (1998) 41: 1209-1217 [PMID:9548812] |
| ChEMBL | Inhibition of MMP3 | B | 8.72 | pIC50 | 1.9 | nM | IC50 | Bioorg Med Chem (2007) 15: 4753-4766 [PMID:17512742] |
| ChEMBL | Inhibition of MMP-3 (unknown origin) | B | 8.72 | pIC50 | 1.9 | nM | IC50 | J Med Chem (2022) 65: 10709-10754 [PMID:35969157] |
| ChEMBL | Inhibition of human matrix metalloprotease-3 | B | 9.72 | pIC50 | 0.19 | nM | IC50 | Bioorg Med Chem Lett (2003) 13: 2843-2846 [PMID:14611841] |
ChEMBL data shown on this page come from version 36:
Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]
