BDBM50386728 CHEMBL2048931
SMILES: CCCOc1ccc2C(NCCc2c1)c1ccc(cc1)S(N)(=O)=O
InChI Key: InChIKey=LCSOKKPGIKPBDO-UHFFFAOYSA-N
Data: 5 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 7 (Homo sapiens (Human)) | BDBM50386728 (CHEMBL2048931) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 8.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Messina Curated by ChEMBL | Assay Description Inhibition of human recombinant full length CA7-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay | J Med Chem 55: 3891-9 (2012) Article DOI: 10.1021/jm300112w BindingDB Entry DOI: 10.7270/Q20G3M6Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50386728 (CHEMBL2048931) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 8.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Messina Curated by ChEMBL | Assay Description Inhibition of human recombinant full length CA2-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay | J Med Chem 55: 3891-9 (2012) Article DOI: 10.1021/jm300112w BindingDB Entry DOI: 10.7270/Q20G3M6Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM50386728 (CHEMBL2048931) | 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 | 9.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Messina Curated by ChEMBL | Assay Description Inhibition of human recombinant CA9 catalytic domain-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay | J Med Chem 55: 3891-9 (2012) Article DOI: 10.1021/jm300112w BindingDB Entry DOI: 10.7270/Q20G3M6Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic Anhydrase XIV (Homo sapiens (Human)) | BDBM50386728 (CHEMBL2048931) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 15.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Messina Curated by ChEMBL | Assay Description Inhibition of human recombinant full length CA14-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay | J Med Chem 55: 3891-9 (2012) Article DOI: 10.1021/jm300112w BindingDB Entry DOI: 10.7270/Q20G3M6Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50386728 (CHEMBL2048931) | 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 | 72.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Messina Curated by ChEMBL | Assay Description Inhibition of human recombinant full length CA1-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay | J Med Chem 55: 3891-9 (2012) Article DOI: 10.1021/jm300112w BindingDB Entry DOI: 10.7270/Q20G3M6Q | |||||||||||
More data for this Ligand-Target Pair |