BDBM50329835 5-{[(5-Bromo-1H-benzimidazol-2-yl)sulfanyl]acetyl}-2-chlorobenzenesulfonamide::CHEMBL1271638
SMILES: NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1nc2ccc(Br)cc2[nH]1
InChI Key: InChIKey=ABLVCEKUEJSYQL-UHFFFAOYSA-N
Data: 6 Kd
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 1 (Homo sapiens (Human)) | BDBM50329835 (5-{[(5-Bromo-1H-benzimidazol-2-yl)sulfanyl]acetyl}...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology Curated by ChEMBL | Assay Description Binding affinity to human recombinant carbonic anhydrase 1 by thermal shift assay | Bioorg Med Chem 18: 7357-64 (2010) Article DOI: 10.1016/j.bmc.2010.09.016 BindingDB Entry DOI: 10.7270/Q21V5F6H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50329835 (5-{[(5-Bromo-1H-benzimidazol-2-yl)sulfanyl]acetyl}...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology Curated by ChEMBL | Assay Description Binding affinity to human recombinant carbonic anhydrase 2 by thermal shift assay | Bioorg Med Chem 18: 7357-64 (2010) Article DOI: 10.1016/j.bmc.2010.09.016 BindingDB Entry DOI: 10.7270/Q21V5F6H | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Carbonic anhydrase 13 (CA XIII) (Homo sapiens (Human)) | BDBM50329835 (5-{[(5-Bromo-1H-benzimidazol-2-yl)sulfanyl]acetyl}...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology Curated by ChEMBL | Assay Description Binding affinity to human recombinant carbonic anhydrase 13 by isothermal titration calorimetry assay | Bioorg Med Chem 18: 7357-64 (2010) Article DOI: 10.1016/j.bmc.2010.09.016 BindingDB Entry DOI: 10.7270/Q21V5F6H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 13 (CA XIII) (Homo sapiens (Human)) | BDBM50329835 (5-{[(5-Bromo-1H-benzimidazol-2-yl)sulfanyl]acetyl}...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology Curated by ChEMBL | Assay Description Binding affinity to human recombinant carbonic anhydrase 13 by thermal shift assay | Bioorg Med Chem 18: 7357-64 (2010) Article DOI: 10.1016/j.bmc.2010.09.016 BindingDB Entry DOI: 10.7270/Q21V5F6H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50329835 (5-{[(5-Bromo-1H-benzimidazol-2-yl)sulfanyl]acetyl}...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology Curated by ChEMBL | Assay Description Binding affinity to human recombinant carbonic anhydrase 1 by isothermal titration calorimetry assay | Bioorg Med Chem 18: 7357-64 (2010) Article DOI: 10.1016/j.bmc.2010.09.016 BindingDB Entry DOI: 10.7270/Q21V5F6H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 7 (Homo sapiens (Human)) | BDBM50329835 (5-{[(5-Bromo-1H-benzimidazol-2-yl)sulfanyl]acetyl}...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology Curated by ChEMBL | Assay Description Binding affinity to human recombinant carbonic anhydrase 7 by thermal shift assay | Bioorg Med Chem 18: 7357-64 (2010) Article DOI: 10.1016/j.bmc.2010.09.016 BindingDB Entry DOI: 10.7270/Q21V5F6H | |||||||||||
More data for this Ligand-Target Pair |