BDBM11331 2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxyacetamide::CGS 27023A Analog 22::Hydroxamate 12
SMILES: COc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)Cc1ccccc1
InChI Key: InChIKey=QCLOBJCDRHHNCL-UHFFFAOYSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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72 kDa type IV collagenase (Homo sapiens (Human)) | BDBM11331 (2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxya...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi | Assay Description Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci... | J Med Chem 43: 3677-87 (2000) Article DOI: 10.1021/jm000027t BindingDB Entry DOI: 10.7270/Q2736P45 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
72 kDa type IV collagenase (Homo sapiens (Human)) | BDBM11331 (2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxya...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College Curated by ChEMBL | Assay Description Inhibition of MMP2 | Bioorg Med Chem 15: 2223-68 (2007) Article DOI: 10.1016/j.bmc.2007.01.011 BindingDB Entry DOI: 10.7270/Q2571DBD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Collagenase (ChC) (Clostridium histolyticum) | BDBM11331 (2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxya...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi | Assay Description The rate of hydrolysis was determined from the change in absorbance at 324 nm using an extinction coefficient, 24700 M-1 cm-1 for FALGPA. Initial vel... | J Med Chem 43: 3677-87 (2000) Article DOI: 10.1021/jm000027t BindingDB Entry DOI: 10.7270/Q2736P45 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neutrophil collagenase (Homo sapiens (Human)) | BDBM11331 (2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxya...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi | Assay Description Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci... | J Med Chem 43: 3677-87 (2000) Article DOI: 10.1021/jm000027t BindingDB Entry DOI: 10.7270/Q2736P45 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Matrix metalloproteinase-9 (Homo sapiens (Human)) | BDBM11331 (2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxya...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi | Assay Description Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci... | J Med Chem 43: 3677-87 (2000) Article DOI: 10.1021/jm000027t BindingDB Entry DOI: 10.7270/Q2736P45 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Matrix metalloproteinase-9 (Homo sapiens (Human)) | BDBM11331 (2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxya...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College Curated by ChEMBL | Assay Description Inhibition of MMP9 | Bioorg Med Chem 15: 2223-68 (2007) Article DOI: 10.1016/j.bmc.2007.01.011 BindingDB Entry DOI: 10.7270/Q2571DBD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Interstitial collagenase (Homo sapiens (Human)) | BDBM11331 (2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxya...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi | Assay Description Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci... | J Med Chem 43: 3677-87 (2000) Article DOI: 10.1021/jm000027t BindingDB Entry DOI: 10.7270/Q2736P45 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Stromelysin-1 (Homo sapiens (Human)) | BDBM11331 (2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxya...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 70 | -10.1 | n/a | n/a | n/a | n/a | n/a | 7.5 | 37 |
Novartis Pharmaceuticals | Assay Description Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ... | J Med Chem 40: 2525-32 (1997) Article DOI: 10.1021/jm960871c BindingDB Entry DOI: 10.7270/Q2MW2FC7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM11331 (2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxya...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi | Assay Description Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt... | J Med Chem 43: 3677-87 (2000) Article DOI: 10.1021/jm000027t BindingDB Entry DOI: 10.7270/Q2736P45 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic Anhydrase IV (Bos taurus (bovine)) | BDBM11331 (2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxya...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 145 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi | Assay Description Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt... | J Med Chem 43: 3677-87 (2000) Article DOI: 10.1021/jm000027t BindingDB Entry DOI: 10.7270/Q2736P45 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM11331 (2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxya...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | >200 | >-9.13 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Universita degli Studi | Assay Description Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt... | J Med Chem 43: 3677-87 (2000) Article DOI: 10.1021/jm000027t BindingDB Entry DOI: 10.7270/Q2736P45 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Meprin A subunit beta (Homo sapiens) | BDBM11331 (2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxya...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 4.05E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fraunhofer Institute for Cell Therapy and Immunology IZI Curated by ChEMBL | Assay Description Inhibition of recombinant human meprin beta expressed in yeast using Abz-YVAEAPK(Dnp)G-OH as substrate by fluorescence assay | Bioorg Med Chem Lett 27: 2428-2431 (2017) Article DOI: 10.1016/j.bmcl.2017.04.012 BindingDB Entry DOI: 10.7270/Q2CR5WH0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Interstitial collagenase (Homo sapiens (Human)) | BDBM11331 (2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxya...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College Curated by ChEMBL | Assay Description Inhibition of MMP1 | Bioorg Med Chem 15: 2223-68 (2007) Article DOI: 10.1016/j.bmc.2007.01.011 BindingDB Entry DOI: 10.7270/Q2571DBD | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Bone morphogenetic protein 1 (Homo sapiens (Human)) | BDBM11331 (2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxya...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
FibroGen Inc. Curated by ChEMBL | Assay Description Inhibition of PCP after 1 hr by fluorescence assay | Bioorg Med Chem Lett 22: 7397-401 (2012) Article DOI: 10.1016/j.bmcl.2012.10.067 BindingDB Entry DOI: 10.7270/Q22808SM | |||||||||||
More data for this Ligand-Target Pair |