BDBM50108106 CHEMBL3601602
SMILES: CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(=O)(=O)NCCCCCOS(N)(=O)=O
InChI Key: InChIKey=CXIJBWKOZIQDPV-FQBWVUSXSA-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 9 (Homo sapiens (Human)) | BDBM50108106 (CHEMBL3601602) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida Curated by ChEMBL | Assay Description Inhibition of human recombinant CA9 expressed in Escherichia coli by stopped flow CO2 hydration assay | J Med Chem 58: 6630-8 (2015) BindingDB Entry DOI: 10.7270/Q24F1SHZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM50108106 (CHEMBL3601602) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida Curated by ChEMBL | Assay Description Inhibition of human recombinant CA12 expressed in Escherichia coli by stopped flow CO2 hydration assay | J Med Chem 58: 6630-8 (2015) BindingDB Entry DOI: 10.7270/Q24F1SHZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50108106 (CHEMBL3601602) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida Curated by ChEMBL | Assay Description Inhibition of human recombinant CA2 expressed in Escherichia coli by stopped flow CO2 hydration assay | J Med Chem 58: 6630-8 (2015) BindingDB Entry DOI: 10.7270/Q24F1SHZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50108106 (CHEMBL3601602) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida Curated by ChEMBL | Assay Description Inhibition of human recombinant CA1 expressed in Escherichia coli by stopped flow CO2 hydration assay | J Med Chem 58: 6630-8 (2015) BindingDB Entry DOI: 10.7270/Q24F1SHZ | |||||||||||
More data for this Ligand-Target Pair |