BDBM10899 1-N-(4-tert-butylbenzene)benzene-1,4-disulfonamide::4-(4-tert-Butylphenylsulfonamido)benzenesulfonamide::aromatic/heteroaromatic sulfonamide 33
SMILES: CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)S(N)(=O)=O
InChI Key: InChIKey=YYGQCFRBGJXGDB-UHFFFAOYSA-N
Data: 3 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 (hpCA) (Helicobacter pylori J99) | BDBM10899 (1-N-(4-tert-butylbenzene)benzene-1,4-disulfonamide...) | PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kochi Medical School | 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 49: 2117-26 (2006) Article DOI: 10.1021/jm0512600 BindingDB Entry DOI: 10.7270/Q2ZS2TQB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM10899 (1-N-(4-tert-butylbenzene)benzene-1,4-disulfonamide...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | 119 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kochi Medical School | 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 49: 2117-26 (2006) Article DOI: 10.1021/jm0512600 BindingDB Entry DOI: 10.7270/Q2ZS2TQB | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM10899 (1-N-(4-tert-butylbenzene)benzene-1,4-disulfonamide...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kochi Medical School | 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 49: 2117-26 (2006) Article DOI: 10.1021/jm0512600 BindingDB Entry DOI: 10.7270/Q2ZS2TQB | |||||||||||
More data for this Ligand-Target Pair |