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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  • MMP14/Matrix metalloproteinase 14 in Human [ChEMBL: CHEMBL3869] [GtoPdb: 1638] [UniProtKB: P50281]
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  • MMP2/Matrix metalloproteinase-2 in Human [ChEMBL: CHEMBL333] [GtoPdb: 1629] [UniProtKB: P08253]
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  • MMP3/Matrix metalloproteinase 3 in Human [ChEMBL: CHEMBL283] [GtoPdb: 1630] [UniProtKB: P08254]
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  • MMP9/Matrix metalloproteinase 9 in Human [ChEMBL: CHEMBL321] [GtoPdb: 1633] [UniProtKB: P14780]
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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]
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 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 MMP2 B 7.86 pKi 13.9 nM Ki Bioorg Med Chem (2008) 16: 8781-8794 [PMID:18790648]
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]
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 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]
GtoPdb - - 7.86 pKi 13.9 nM Ki J Am Chem Soc (2000) 122: 6799-6800
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]
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]
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 MMP9 B 6.22 pKi 600 nM Ki Bioorg Med Chem (2008) 16: 8781-8794 [PMID:18790648]
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 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 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 data shown on this page come from version 33:

Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
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]