BDBM50023594 CHEMBL3329927
SMILES: COc1cccc(\C=C\C(=O)C[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1
InChI Key: InChIKey=SHMXFLMKFGVNIV-HDRLOJTCSA-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)) | BDBM50023594 (CHEMBL3329927) | 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 | 615 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional de La Plata Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase 9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay | Bioorg Med Chem 22: 5308-14 (2014) Article DOI: 10.1016/j.bmc.2014.07.052 BindingDB Entry DOI: 10.7270/Q2QZ2CKQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM50023594 (CHEMBL3329927) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 682 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional de La Plata Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase 12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay | Bioorg Med Chem 22: 5308-14 (2014) Article DOI: 10.1016/j.bmc.2014.07.052 BindingDB Entry DOI: 10.7270/Q2QZ2CKQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50023594 (CHEMBL3329927) | 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 | 7.44E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional de La Plata Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase 1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay | Bioorg Med Chem 22: 5308-14 (2014) Article DOI: 10.1016/j.bmc.2014.07.052 BindingDB Entry DOI: 10.7270/Q2QZ2CKQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50023594 (CHEMBL3329927) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional de La Plata Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase 2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay | Bioorg Med Chem 22: 5308-14 (2014) Article DOI: 10.1016/j.bmc.2014.07.052 BindingDB Entry DOI: 10.7270/Q2QZ2CKQ | |||||||||||
More data for this Ligand-Target Pair |