BDBM11031 2-propyl-N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)pentanamide::2-valproylamido-5-sulfonamidoindane::CHEMBL381730::Indanesulfonamide Derivative 12a
SMILES: CCCC(CCC)C(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O
InChI Key: InChIKey=XBYJCVDSFWJBSM-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)) | BDBM11031 (2-propyl-N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur | 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: 2743-9 (2006) Article DOI: 10.1021/jm0600287 BindingDB Entry DOI: 10.7270/Q25B00PK | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Carbonic anhydrase 7 (Homo sapiens (Human)) | BDBM11031 (2-propyl-N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | 9.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 7 by CO2 hydration assay | Eur J Med Chem 43: 2853-60 (2008) Article DOI: 10.1016/j.ejmech.2008.02.018 BindingDB Entry DOI: 10.7270/Q2Z03922 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM11031 (2-propyl-N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 12 by CO2 hydration assay | Eur J Med Chem 43: 2853-60 (2008) Article DOI: 10.1016/j.ejmech.2008.02.018 BindingDB Entry DOI: 10.7270/Q2Z03922 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM11031 (2-propyl-N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | 282 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur | 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: 2743-9 (2006) Article DOI: 10.1021/jm0600287 BindingDB Entry DOI: 10.7270/Q25B00PK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic Anhydrase XIV (Homo sapiens (Human)) | BDBM11031 (2-propyl-N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | 658 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 14 by CO2 hydration assay | Eur J Med Chem 43: 2853-60 (2008) Article DOI: 10.1016/j.ejmech.2008.02.018 BindingDB Entry DOI: 10.7270/Q2Z03922 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM11031 (2-propyl-N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | 4.13E+3 | -7.27 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
University of Namur | 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: 2743-9 (2006) Article DOI: 10.1021/jm0600287 BindingDB Entry DOI: 10.7270/Q25B00PK | |||||||||||
More data for this Ligand-Target Pair |