BDBM50428851 CHEMBL2337538
SMILES: NS(=O)(=O)c1ccc(NC(=O)C(C#N)C(=S)Nc2ccccc2)cc1
InChI Key: InChIKey=ODVLEWZBONVFET-UHFFFAOYSA-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)) | BDBM50428851 (CHEMBL2337538) | 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 | 5.80 | 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 2 (Homo sapiens (Human)) | BDBM50428851 (CHEMBL2337538) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 6.5 | 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 | |||||||||||||
Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM50428851 (CHEMBL2337538) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 12 | 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 1 (Homo sapiens (Human)) | BDBM50428851 (CHEMBL2337538) | 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 | 68 | 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 |