BDBM50337751 4-(2-(((1S)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methylsulfonamido)ethyl)benzene sulfonamide::CHEMBL1683471
SMILES: CC1(C)C2CC[C@@]1(CS(=O)(=O)NCCc1ccc(cc1)S(N)(=O)=O)C(=O)C2
InChI Key: InChIKey=BGDPHHMFGCHIEB-XPKAQORNSA-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 5A, mitochondrial (Homo sapiens (Human)) | BDBM50337751 (4-(2-(((1S)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 33.2 | 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 5B, mitochondrial (Homo sapiens (Human)) | BDBM50337751 (4-(2-(((1S)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 54.1 | 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 2 (Homo sapiens (Human)) | BDBM50337751 (4-(2-(((1S)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.25E+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 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)) | BDBM50337751 (4-(2-(((1S)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 5.51E+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 |