BDBM50428449 CHEMBL449451
SMILES: COc1ccc(cc1F)-c1ccc(O)c(CN=O)c1
InChI Key: InChIKey=PMSZIRMXQHNMQO-UHFFFAOYSA-N
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 2 (Homo sapiens (Human)) | BDBM50428449 (CHEMBL449451) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 3.66E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Pisa Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay | Bioorg Med Chem 21: 1511-5 (2013) Article DOI: 10.1016/j.bmc.2012.08.057 BindingDB Entry DOI: 10.7270/Q2891765 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM50428449 (CHEMBL449451) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 5.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Pisa Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay | Bioorg Med Chem 21: 1511-5 (2013) Article DOI: 10.1016/j.bmc.2012.08.057 BindingDB Entry DOI: 10.7270/Q2891765 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50428449 (CHEMBL449451) | 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 | 6.93E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Pisa Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay | Bioorg Med Chem 21: 1511-5 (2013) Article DOI: 10.1016/j.bmc.2012.08.057 BindingDB Entry DOI: 10.7270/Q2891765 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM50428449 (CHEMBL449451) | 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 | 1.02E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Pisa Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay | Bioorg Med Chem 21: 1511-5 (2013) Article DOI: 10.1016/j.bmc.2012.08.057 BindingDB Entry DOI: 10.7270/Q2891765 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Solute carrier family 2, facilitated glucose transporter member 1 (Homo sapiens (Human)) | BDBM50428449 (CHEMBL449451) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa Curated by ChEMBL | Assay Description Inhibition of GLUT1 in human H1299 cells assessed as inhibition of 2-deoxy-D-[3H]-glucose uptake incubated for 15 mins prior to 2-deoxy-D-[3H]-glucos... | Bioorg Med Chem Lett 23: 6923-7 (2013) Article DOI: 10.1016/j.bmcl.2013.09.037 BindingDB Entry DOI: 10.7270/Q2639R6Q | |||||||||||
More data for this Ligand-Target Pair |