BDBM50251024 CHEMBL457486::N-(3,5-Difluoro-4-hydroxyphenyl)-4-nitrobenzenesulfonamide
SMILES: Oc1c(F)cc(NS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)cc1F
InChI Key: InChIKey=WAUVOCPAFUJJNQ-UHFFFAOYSA-N
Data: 3 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Aldo-keto reductase family 1 member B1 (Rattus norvegicus) | BDBM50251024![]() (CHEMBL457486 | N-(3,5-Difluoro-4-hydroxyphenyl)-4-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.44E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki Curated by ChEMBL | Assay Description Inhibition of aldose reductase in rat lenses | Bioorg Med Chem 16: 3926-32 (2008) Article DOI: 10.1016/j.bmc.2008.01.042 BindingDB Entry DOI: 10.7270/Q2JQ10SH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldo-keto reductase family 1 member B1 (Rattus norvegicus) | BDBM50251024![]() (CHEMBL457486 | N-(3,5-Difluoro-4-hydroxyphenyl)-4-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.44E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki Curated by ChEMBL | Assay Description Inhibition of Fischer-344 rat lens ALR2 by least-square analysis | J Med Chem 53: 7756-66 (2010) Article DOI: 10.1021/jm101008m BindingDB Entry DOI: 10.7270/Q2ZS2WRM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldo-keto reductase family 1 member A1 (Rattus norvegicus) | BDBM50251024![]() (CHEMBL457486 | N-(3,5-Difluoro-4-hydroxyphenyl)-4-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki Curated by ChEMBL | Assay Description Inhibition of Fischer-344 rat kidney AK1A1 | J Med Chem 53: 7756-66 (2010) Article DOI: 10.1021/jm101008m BindingDB Entry DOI: 10.7270/Q2ZS2WRM | |||||||||||
More data for this Ligand-Target Pair |