SB-3CT [Ligand Id: 9509] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL483857 (2-((4-Phenoxyphenylsulfonyl)Methyl)Thiirane) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| ADAM17 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3706] [GtoPdb: 1662] [UniProtKB: P78536] | ||||||||
| ChEMBL | Inhibition of TACE | B | 5.43 | pKi | 3700 | nM | Ki | Bioorg Med Chem (2008) 16: 8781-8794 [PMID:18790648] |
| MMP1/Matrix metalloproteinase-1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL332] [GtoPdb: 1628] [UniProtKB: P03956] | ||||||||
| ChEMBL | Inhibition of MMP-1 (unknown origin) | B | 4.14 | pKi | 73000 | nM | Ki | J Med Chem (2022) 65: 10709-10754 [PMID:35969157] |
| MMP14/Matrix metalloproteinase 14 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3869] [GtoPdb: 1638] [UniProtKB: P50281] | ||||||||
| ChEMBL | Inhibition of human recombinant MMP14 catalytic domain by substrate hydrolysis based fluorescence spectrophotometry | B | 6.96 | pKi | 110 | nM | Ki | ACS Med Chem Lett (2011) 2: 177-181 [PMID:24900296] |
| ChEMBL | Inhibition of MMP-14 (unknown origin) | B | 6.96 | pKi | 110 | nM | Ki | J Med Chem (2022) 65: 10709-10754 [PMID:35969157] |
| ChEMBL | Competitive inhibition of human MMP14 using fluorogenic substrate by Dixon plot analysis | B | 7.43 | pKi | 37 | nM | Ki | ACS Med Chem Lett (2012) 3: 490-495 [PMID:22737278] |
| MMP2/Matrix metalloproteinase-2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL333] [GtoPdb: 1629] [UniProtKB: P08253] | ||||||||
| ChEMBL | Inhibition of recombinant human MMP2 | B | 7.55 | pKi | 28 | nM | Ki | J Med Chem (2018) 61: 8825-8837 [PMID:30212201] |
| ChEMBL | Inhibition of MMP-2 (unknown origin) | B | 7.55 | pKi | 28 | nM | Ki | J Med Chem (2022) 65: 10709-10754 [PMID:35969157] |
| ChEMBL | Competitive inhibition of human MMP-2 assessed as inhibition constant | B | 7.85 | pKi | 14 | nM | Ki | Eur J Med Chem (2021) 223: 113623-113623 [PMID:34157437] |
| ChEMBL | Competitive inhibition of human MMP2 using fluorogenic substrate by Dixon plot analysis | B | 7.86 | pKi | 13.9 | nM | Ki | ACS Med Chem Lett (2012) 3: 490-495 [PMID:22737278] |
| ChEMBL | Inhibition of MMP2 | B | 7.86 | pKi | 13.9 | nM | Ki | Bioorg Med Chem (2008) 16: 8781-8794 [PMID:18790648] |
| ChEMBL | Inhibition of recombinant human MMP2 expressed in human HeLaS3 cells using MOCAcPLGLA2pr(Dnp)-AR-NH2 as substrate incubated for 15 to 30 mins by fluorescence method | B | 7.86 | pKi | 13.9 | nM | Ki | J Med Chem (2020) 63: 10705-10725 [PMID:32459966] |
| ChEMBL | Inhibition of MMP2 by substrate hydrolysis based fluorescence spectrophotometry | B | 7.86 | pKi | 13.9 | nM | Ki | ACS Med Chem Lett (2011) 2: 177-181 [PMID:24900296] |
| GtoPdb | - | - | 7.86 | pKi | 13.9 | nM | Ki | J Am Chem Soc (2000) 122: 6799-6800 |
| ChEMBL | Inhibition of MMP-2 (unknown origin) | B | 7.55 | pIC50 | 28 | nM | IC50 | J Med Chem (2021) 64: 2851-2877 [PMID:33656892] |
| MMP3/Matrix metalloproteinase 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL283] [GtoPdb: 1630] [UniProtKB: P08254] | ||||||||
| ChEMBL | Inhibition of MMP3 | B | 4.82 | pKi | 15000 | nM | Ki | Bioorg Med Chem (2008) 16: 8781-8794 [PMID:18790648] |
| ChEMBL | Inhibition of human recombinant MMP3 catalytic domain by substrate hydrolysis based fluorescence spectrophotometry | B | 4.82 | pKi | 15000 | nM | Ki | ACS Med Chem Lett (2011) 2: 177-181 [PMID:24900296] |
| ChEMBL | Competitive inhibition of human MMP3 using fluorogenic substrate by Dixon plot analysis | B | 4.82 | pKi | 15000 | nM | Ki | ACS Med Chem Lett (2012) 3: 490-495 [PMID:22737278] |
| ChEMBL | Inhibition of MMP-3 (unknown origin) | B | 5.4 | pKi | 4000 | nM | Ki | J Med Chem (2022) 65: 10709-10754 [PMID:35969157] |
| MMP7/Matrix metalloproteinase 7 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4073] [GtoPdb: 1631] [UniProtKB: P09237] | ||||||||
| ChEMBL | Inhibition of MMP7 | B | 4.02 | pKi | 96000 | nM | Ki | Bioorg Med Chem (2008) 16: 8781-8794 [PMID:18790648] |
| ChEMBL | Inhibition of human recombinant MMP7 catalytic domain by substrate hydrolysis based fluorescence spectrophotometry | B | 4.02 | pKi | 96000 | nM | Ki | ACS Med Chem Lett (2011) 2: 177-181 [PMID:24900296] |
| ChEMBL | Competitive inhibition of human MMP7 using fluorogenic substrate by Dixon plot analysis | B | 4.02 | pKi | 96000 | nM | Ki | ACS Med Chem Lett (2012) 3: 490-495 [PMID:22737278] |
| ChEMBL | Inhibition of MMP-7 (unknown origin) | B | 4.17 | pKi | 67000 | nM | Ki | J Med Chem (2022) 65: 10709-10754 [PMID:35969157] |
| MMP8/Matrix metalloproteinase 8 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4588] [GtoPdb: 1632] [UniProtKB: P22894] | ||||||||
| ChEMBL | Non-competitive inhibition of MMP8 (unknown origin) | B | 5.68 | pKi | 2100 | nM | Ki | J Med Chem (2018) 61: 8825-8837 [PMID:30212201] |
| MMP9/Matrix metalloproteinase 9 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL321] [GtoPdb: 1633] [UniProtKB: P14780] | ||||||||
| GtoPdb | - | - | 6.22 | pKi | 600 | nM | Ki | J Am Chem Soc (2000) 122: 6799-6800 |
| ChEMBL | Inhibition of human recombinant MMP9 catalytic domain by substrate hydrolysis based fluorescence spectrophotometry | B | 6.22 | pKi | 600 | nM | Ki | ACS Med Chem Lett (2011) 2: 177-181 [PMID:24900296] |
| ChEMBL | Competitive inhibition of human MMP-9 assessed as inhibition constant | B | 6.22 | pKi | 600 | nM | Ki | Eur J Med Chem (2021) 223: 113623-113623 [PMID:34157437] |
| ChEMBL | Competitive inhibition of human MMP9 using fluorogenic substrate by Dixon plot analysis | B | 6.22 | pKi | 600 | nM | Ki | ACS Med Chem Lett (2012) 3: 490-495 [PMID:22737278] |
| ChEMBL | Inhibition of MMP9 | B | 6.22 | pKi | 600 | nM | Ki | Bioorg Med Chem (2008) 16: 8781-8794 [PMID:18790648] |
| ChEMBL | Inhibition of recombinant human MMP9 expressed in human HeLaS3 cells using MOCAcPLGLA2pr(Dnp)-AR-NH2 as substrate incubated for 15 to 30 mins by fluorescence method | B | 6.22 | pKi | 600 | nM | Ki | J Med Chem (2020) 63: 10705-10725 [PMID:32459966] |
| ChEMBL | Inhibition of recombinant human MMP9 | B | 6.4 | pKi | 400 | nM | Ki | J Med Chem (2018) 61: 8825-8837 [PMID:30212201] |
| ChEMBL | Inhibition of MMP-9 (unknown origin) | B | 6.4 | pKi | 400 | nM | Ki | J Med Chem (2022) 65: 10709-10754 [PMID:35969157] |
| ChEMBL | Inhibition of MMP-9 (unknown origin) | B | 6.4 | pIC50 | 400 | nM | IC50 | J Med Chem (2021) 64: 2851-2877 [PMID:33656892] |
ChEMBL data shown on this page come from version 34:
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]
