BDBM50176697 CHEMBL3809123
SMILES: [#7]\[#6](-[#7])=[#7]\S(=O)(=O)c1ccc(-[#7]\[#7]=[#6]-2/[#16]-[#6](-[#7]-c3ccc(cc3)S([#7])(=O)=O)=[#7]-[#6]-2=O)cc1
InChI Key: InChIKey=BOXZUSSFHUTBSO-UCQKPKSFSA-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)) | BDBM50176697 (CHEMBL3809123) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.530 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cairo University Curated by ChEMBL | Assay Description Inhibition of human recombinant CA2 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay | Bioorg Med Chem 24: 3043-3051 (2016) BindingDB Entry DOI: 10.7270/Q2736STC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50176697 (CHEMBL3809123) | 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 | 0.850 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cairo University Curated by ChEMBL | Assay Description Inhibition of human recombinant CA1 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay | Bioorg Med Chem 24: 3043-3051 (2016) BindingDB Entry DOI: 10.7270/Q2736STC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM50176697 (CHEMBL3809123) | 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 | 8.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cairo University Curated by ChEMBL | Assay Description Inhibition of human recombinant CA9 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay | Bioorg Med Chem 24: 3043-3051 (2016) BindingDB Entry DOI: 10.7270/Q2736STC | |||||||||||
More data for this Ligand-Target Pair |