BDBM14722 1-N-[5-Sulfamoyl-1,3,4-thiadiazol-2-yl-(aminosulfonyl-4-phenyl)]-2,6-dimethyl-4-phenylpyridinium perchlorate::2,6-dimethyl-4-phenyl-1-{4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}-1-pyridin-1-ylium perchlorate::Sulfonamide, 8::pyridinium-containing sulfonamide analog 14e
SMILES: Cc1cc(cc(C)[n+]1-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O)-c1ccccc1
InChI Key: InChIKey=UQVQBJWQKAPUBT-UHFFFAOYSA-N
Data: 7 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM14722 (1-N-[5-Sulfamoyl-1,3,4-thiadiazol-2-yl-(aminosulfo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Canadian Institutes of Health Research | 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 47: 2337-47 (2004) Article DOI: 10.1021/jm031079w BindingDB Entry DOI: 10.7270/Q2DV1H4B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM14722 (1-N-[5-Sulfamoyl-1,3,4-thiadiazol-2-yl-(aminosulfo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.200 | -13.0 | n/a | n/a | n/a | n/a | n/a | 7.4 | 20 |
Università degli Studi di Firenze | Assay Description The initial rates of 4-nitrophenylacetate hydrolysis catalysed by different CA isozymes were monitored spectrophotometrically at 400nm with a Cary 3 ... | J Enzyme Inhib Med Chem 19: 269-73 (2004) Article DOI: 10.1080/14756360410001689559 BindingDB Entry DOI: 10.7270/Q20C4TBB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic Anhydrase IV (Bos taurus (bovine)) | BDBM14722 (1-N-[5-Sulfamoyl-1,3,4-thiadiazol-2-yl-(aminosulfo...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Canadian Institutes of Health Research | 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 47: 2337-47 (2004) Article DOI: 10.1021/jm031079w BindingDB Entry DOI: 10.7270/Q2DV1H4B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic Anhydrase IV (Bos taurus (bovine)) | BDBM14722 (1-N-[5-Sulfamoyl-1,3,4-thiadiazol-2-yl-(aminosulfo...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 2 | -11.7 | n/a | n/a | n/a | n/a | n/a | 7.4 | 20 |
Università degli Studi di Firenze | Assay Description The initial rates of 4-nitrophenylacetate hydrolysis catalysed by different CA isozymes were monitored spectrophotometrically at 400nm with a Cary 3 ... | J Enzyme Inhib Med Chem 19: 269-73 (2004) Article DOI: 10.1080/14756360410001689559 BindingDB Entry DOI: 10.7270/Q20C4TBB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM14722 (1-N-[5-Sulfamoyl-1,3,4-thiadiazol-2-yl-(aminosulfo...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 3 | -11.6 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
Canadian Institutes of Health Research | 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 47: 2337-47 (2004) Article DOI: 10.1021/jm031079w BindingDB Entry DOI: 10.7270/Q2DV1H4B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM14722 (1-N-[5-Sulfamoyl-1,3,4-thiadiazol-2-yl-(aminosulfo...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 3 | -11.4 | n/a | n/a | n/a | n/a | n/a | 7.4 | 20 |
Università degli Studi di Firenze | Assay Description The initial rates of 4-nitrophenylacetate hydrolysis catalysed by different CA isozymes were monitored spectrophotometrically at 400nm with a Cary 3 ... | J Enzyme Inhib Med Chem 19: 269-73 (2004) Article DOI: 10.1080/14756360410001689559 BindingDB Entry DOI: 10.7270/Q20C4TBB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM14722 (1-N-[5-Sulfamoyl-1,3,4-thiadiazol-2-yl-(aminosulfo...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Canadian Institutes of Health Research | Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic... | J Med Chem 47: 2337-47 (2004) Article DOI: 10.1021/jm031079w BindingDB Entry DOI: 10.7270/Q2DV1H4B | |||||||||||
More data for this Ligand-Target Pair |