BDBM50128218 CHEMBL302593::Sulfamic acid 5-(2,2-dimethyl-[1,3]dioxolan-4-yl)-2,2-dimethyl-tetrahydro-furo[2,3-d][1,3]dioxol-6-yl ester
SMILES: CC1(C)OCC(O1)C1OC2OC(C)(C)OC2[C@H]1OS(N)(=O)=O
InChI Key: InChIKey=NEFHIYCLJNJIDP-DVOJEQBISA-N
Data: 3 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 2 (Homo sapiens (Human)) | BDBM50128218 (CHEMBL302593 | Sulfamic acid 5-(2,2-dimethyl-[1,3]...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Montpellier II Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase II | J Med Chem 46: 2197-204 (2003) Article DOI: 10.1021/jm021124k BindingDB Entry DOI: 10.7270/Q28P617T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM50128218 (CHEMBL302593 | Sulfamic acid 5-(2,2-dimethyl-[1,3]...) | 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 | 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Montpellier II Curated by ChEMBL | Assay Description Inhibitory concentration against catalytic domain of human cloned carbonic anhydrase IX. | J Med Chem 46: 2197-204 (2003) Article DOI: 10.1021/jm021124k BindingDB Entry DOI: 10.7270/Q28P617T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50128218 (CHEMBL302593 | Sulfamic acid 5-(2,2-dimethyl-[1,3]...) | 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 | 278 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Montpellier II Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase I | J Med Chem 46: 2197-204 (2003) Article DOI: 10.1021/jm021124k BindingDB Entry DOI: 10.7270/Q28P617T | |||||||||||
More data for this Ligand-Target Pair |