BDBM50209889 CHEMBL3884342
SMILES: COc1ccc(cc1)-c1cn2nc(sc2n1)-c1ccc(cc1)S(N)(=O)=O
InChI Key: InChIKey=XOROYJAKDAWFBF-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 (Homo sapiens (Human)) | BDBM50209889 (CHEMBL3884342) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University Curated by ChEMBL | Assay Description Inhibition of recombinant human membrane bound carbonic anhydrase 12 by stopped-flow CO2 hydration assay | Bioorg Med Chem 25: 1286-1293 (2017) Article DOI: 10.1016/j.bmc.2016.12.047 BindingDB Entry DOI: 10.7270/Q2222WSR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50209889 (CHEMBL3884342) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 830 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University Curated by ChEMBL | Assay Description Inhibition of recombinant human erythrocyte cytosolic carbonic anhydrase 2 by stopped-flow CO2 hydration assay | Bioorg Med Chem 25: 1286-1293 (2017) Article DOI: 10.1016/j.bmc.2016.12.047 BindingDB Entry DOI: 10.7270/Q2222WSR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50209889 (CHEMBL3884342) | 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 | 849 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University Curated by ChEMBL | Assay Description Inhibition of recombinant human erythrocyte cytosolic carbonic anhydrase 1 by stopped-flow CO2 hydration assay | Bioorg Med Chem 25: 1286-1293 (2017) Article DOI: 10.1016/j.bmc.2016.12.047 BindingDB Entry DOI: 10.7270/Q2222WSR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM50209889 (CHEMBL3884342) | 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 | 2.83E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University Curated by ChEMBL | Assay Description Inhibition of recombinant human membrane bound carbonic anhydrase 9 by stopped-flow CO2 hydration assay | Bioorg Med Chem 25: 1286-1293 (2017) Article DOI: 10.1016/j.bmc.2016.12.047 BindingDB Entry DOI: 10.7270/Q2222WSR | |||||||||||
More data for this Ligand-Target Pair |