BDBM11372 CHEMBL55310::Hydroxysulfonamide 53::N-hydroxybenzenesulfonamide
SMILES: ONS(=O)(=O)c1ccccc1
InChI Key: InChIKey=BRMDATNYMUMZLN-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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Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM11372 (CHEMBL55310 | Hydroxysulfonamide 53 | N-hydroxyben...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents | Article PubMed | 26 | 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 | 3D Structure (docked) | ||||||||||||
Carbonic Anhydrase IV (Bos taurus (bovine)) | BDBM11372 (CHEMBL55310 | Hydroxysulfonamide 53 | N-hydroxyben...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents | Article PubMed | 74 | 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)) | BDBM11372 (CHEMBL55310 | Hydroxysulfonamide 53 | N-hydroxyben...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents | Article PubMed | 1.80E+4 | 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 | |||||||||||||
72 kDa type IV collagenase (Homo sapiens (Human)) | BDBM11372 (CHEMBL55310 | Hydroxysulfonamide 53 | N-hydroxyben...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents | Article PubMed | 7.00E+4 | 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 | |||||||||||||
Neutrophil collagenase (Homo sapiens (Human)) | BDBM11372 (CHEMBL55310 | Hydroxysulfonamide 53 | N-hydroxyben...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents | Article PubMed | 7.40E+4 | 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)) | BDBM11372 (CHEMBL55310 | Hydroxysulfonamide 53 | N-hydroxyben...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents | Article PubMed | 7.80E+4 | 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 | |||||||||||||
Interstitial collagenase (Homo sapiens (Human)) | BDBM11372 (CHEMBL55310 | Hydroxysulfonamide 53 | N-hydroxyben...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents | Article PubMed | 7.90E+4 | 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 | |||||||||||||
Collagenase (ChC) (Clostridium histolyticum) | BDBM11372 (CHEMBL55310 | Hydroxysulfonamide 53 | N-hydroxyben...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents | Article PubMed | 8.30E+4 | 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 | |||||||||||||
Aldehyde dehydrogenase 1A1 (Rattus norvegicus) | BDBM11372 (CHEMBL55310 | Hydroxysulfonamide 53 | N-hydroxyben...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents | PubMed | n/a | n/a | 4.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description In vitro inhibition against yeast Alcohol dehydrogenase | J Med Chem 38: 1865-71 (1995) BindingDB Entry DOI: 10.7270/Q25T3JHX | |||||||||||
More data for this Ligand-Target Pair |