BDBM50299299 CHEMBL575342::methyl 4-(2-hydroxy-5-methoxybenzylideneamino)benzoate
SMILES: COC(=O)c1ccc(cc1)\N=C\c1cc(OC)ccc1O
InChI Key: InChIKey=LHTZWZAZKLGYNX-LICLKQGHSA-N
Data: 3 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 2 (Homo sapiens (Human)) | BDBM50299299![]() (CHEMBL575342 | methyl 4-(2-hydroxy-5-methoxybenzyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 5.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM-UMII-CNRS 5635 Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration by stopped flow technique | Bioorg Med Chem Lett 19: 6014-7 (2009) Article DOI: 10.1016/j.bmcl.2009.09.047 BindingDB Entry DOI: 10.7270/Q2FQ9WP1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50299299![]() (CHEMBL575342 | methyl 4-(2-hydroxy-5-methoxybenzyl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 7.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635 Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay | Bioorg Med Chem 22: 2867-74 (2014) Article DOI: 10.1016/j.bmc.2014.03.041 BindingDB Entry DOI: 10.7270/Q27D2WPD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50299299![]() (CHEMBL575342 | methyl 4-(2-hydroxy-5-methoxybenzyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.13E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCM/UMII/UMR-CNRS 5635 Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay | Bioorg Med Chem 22: 2867-74 (2014) Article DOI: 10.1016/j.bmc.2014.03.041 BindingDB Entry DOI: 10.7270/Q27D2WPD | |||||||||||
More data for this Ligand-Target Pair |