BDBM50337755 5-(((1S)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methylsulfonylimino)-4-methyl-4,5-dihydro-1,3,4-thiadiazole-2-sulfonamide::CHEMBL1683475
SMILES: Cn1nc(sc1=NS(=O)(=O)C[C@]12CCC(CC1=O)C2(C)C)S(N)(=O)=O
InChI Key: InChIKey=VUWSFOHOCYLFCT-AZMWARKLSA-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 VB (Homo sapiens (Human)) | BDBM50337755 (5-(((1S)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 7.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze Curated by ChEMBL | Assay Description Inhibition of human recombinant CA5B mitochondrial isoform by stopped-flow CO2 hydration assay | Bioorg Med Chem Lett 21: 1334-7 (2011) Article DOI: 10.1016/j.bmcl.2011.01.050 BindingDB Entry DOI: 10.7270/Q2930TF6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic Anhydrase VA (Homo sapiens (Human)) | BDBM50337755 (5-(((1S)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze Curated by ChEMBL | Assay Description Inhibition of human recombinant CA5A mitochondrial isoform by stopped-flow CO2 hydration assay | Bioorg Med Chem Lett 21: 1334-7 (2011) Article DOI: 10.1016/j.bmcl.2011.01.050 BindingDB Entry DOI: 10.7270/Q2930TF6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50337755 (5-(((1S)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze Curated by ChEMBL | Assay Description Inhibition of human recombinant CA2 cytosolic isoform by stopped-flow CO2 hydration assay | Bioorg Med Chem Lett 21: 1334-7 (2011) Article DOI: 10.1016/j.bmcl.2011.01.050 BindingDB Entry DOI: 10.7270/Q2930TF6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50337755 (5-(((1S)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-...) | 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 | 4.38E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze Curated by ChEMBL | Assay Description Inhibition of human recombinant CA1 cytosolic isoform by stopped-flow CO2 hydration assay | Bioorg Med Chem Lett 21: 1334-7 (2011) Article DOI: 10.1016/j.bmcl.2011.01.050 BindingDB Entry DOI: 10.7270/Q2930TF6 | |||||||||||
More data for this Ligand-Target Pair |