BDBM50428835 CHEMBL2337533
SMILES: NS(=O)(=O)c1ccc(NC(=O)C(=C\C=C\c2ccccc2)\C#N)cc1
InChI Key: InChIKey=KVHOSNWOURHMFC-DUEVJXGLSA-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 12 (Homo sapiens (Human)) | BDBM50428835 (CHEMBL2337533) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salman Bin Abdulaziz University Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay | Bioorg Med Chem 21: 1396-403 (2013) Article DOI: 10.1016/j.bmc.2012.12.004 BindingDB Entry DOI: 10.7270/Q2GM88N1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM50428835 (CHEMBL2337533) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salman Bin Abdulaziz University Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay | Bioorg Med Chem 21: 1396-403 (2013) Article DOI: 10.1016/j.bmc.2012.12.004 BindingDB Entry DOI: 10.7270/Q2GM88N1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50428835 (CHEMBL2337533) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salman Bin Abdulaziz University Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay | Bioorg Med Chem 21: 1396-403 (2013) Article DOI: 10.1016/j.bmc.2012.12.004 BindingDB Entry DOI: 10.7270/Q2GM88N1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50428835 (CHEMBL2337533) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salman Bin Abdulaziz University Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay | Bioorg Med Chem 21: 1396-403 (2013) Article DOI: 10.1016/j.bmc.2012.12.004 BindingDB Entry DOI: 10.7270/Q2GM88N1 | |||||||||||
More data for this Ligand-Target Pair |