BDBM50354403 CHEMBL1836406
SMILES: COc1cccc(c1)C#Cc1cccc(c1)S(N)(=O)=O
InChI Key: InChIKey=XGMHQWMQPHELII-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)) | BDBM50354403 (CHEMBL1836406) | PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 9-catalyzed CO2 hydration activity by stopped flow assay | Bioorg Med Chem Lett 21: 5892-6 (2011) Article DOI: 10.1016/j.bmcl.2011.07.090 BindingDB Entry DOI: 10.7270/Q2Z60PFG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM50354403 (CHEMBL1836406) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 9.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 12-catalyzed CO2 hydration activity by stopped flow assay | Bioorg Med Chem Lett 21: 5892-6 (2011) Article DOI: 10.1016/j.bmcl.2011.07.090 BindingDB Entry DOI: 10.7270/Q2Z60PFG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50354403 (CHEMBL1836406) | PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 76 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration activity by stopped flow assay | Bioorg Med Chem Lett 21: 5892-6 (2011) Article DOI: 10.1016/j.bmcl.2011.07.090 BindingDB Entry DOI: 10.7270/Q2Z60PFG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50354403 (CHEMBL1836406) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 6.32E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration activity by stopped flow assay | Bioorg Med Chem Lett 21: 5892-6 (2011) Article DOI: 10.1016/j.bmcl.2011.07.090 BindingDB Entry DOI: 10.7270/Q2Z60PFG | |||||||||||
More data for this Ligand-Target Pair |