BDBM50345221 3,3-Dimethyl-N-(4-sulfamoylphenyl)butyramide::3,3-dimethyl-N-(4-sulfamoylphenyl)butanamide::CHEMBL1085094
SMILES: CC(C)(C)CC(=O)Nc1ccc(cc1)S(N)(=O)=O
InChI Key: InChIKey=CKAYCQXFILBHHL-UHFFFAOYSA-N
Data: 4 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 7 (Homo sapiens (Human)) | BDBM50345221 (3,3-Dimethyl-N-(4-sulfamoylphenyl)butyramide | 3,3...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 62 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 7 preincubated with compound for 15 mins by carbon dioxide hydration assay | J Med Chem 54: 3977-81 (2011) Article DOI: 10.1021/jm200209n BindingDB Entry DOI: 10.7270/Q2736R8S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic Anhydrase XIV (Homo sapiens (Human)) | BDBM50345221 (3,3-Dimethyl-N-(4-sulfamoylphenyl)butyramide | 3,3...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 71 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 14 preincubated with compound for 15 mins by carbon dioxide hydration assay | J Med Chem 54: 3977-81 (2011) Article DOI: 10.1021/jm200209n BindingDB Entry DOI: 10.7270/Q2736R8S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50345221 (3,3-Dimethyl-N-(4-sulfamoylphenyl)butyramide | 3,3...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 1 preincubated with compound for 15 mins by carbon dioxide hydration assay | J Med Chem 54: 3977-81 (2011) Article DOI: 10.1021/jm200209n BindingDB Entry DOI: 10.7270/Q2736R8S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50345221 (3,3-Dimethyl-N-(4-sulfamoylphenyl)butyramide | 3,3...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 2 preincubated with compound for 15 mins by carbon dioxide hydration assay | J Med Chem 54: 3977-81 (2011) Article DOI: 10.1021/jm200209n BindingDB Entry DOI: 10.7270/Q2736R8S | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) |