BDBM55160 4-(3,4-dihydroxyphenyl)-6-[(4-fluorophenyl)sulfonylmethyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester::4-(3,4-dihydroxyphenyl)-6-[(4-fluorophenyl)sulfonylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester::MLS000924887::SMR000623788::cid_18559436::ethyl 4-(3,4-dihydroxyphenyl)-6-[(4-fluorophenyl)sulfonylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate::ethyl 4-[3,4-bis(oxidanyl)phenyl]-6-[(4-fluorophenyl)sulfonylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILES: CCOC(=O)C1C(NC(=O)N=C1CS(=O)(=O)c1ccc(F)cc1)c1ccc(O)c(O)c1
InChI Key: InChIKey=WLJSIKWITAUPPM-UHFFFAOYSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Procathepsin L (Homo sapiens (Human)) | BDBM55160 (4-(3,4-dihydroxyphenyl)-6-[(4-fluorophenyl)sulfony...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | PCBioAssay | n/a | n/a | >5.96E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q20K2704 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
M18 aspartyl aminopeptidase (Plasmodium falciparum 3D7) | BDBM55160 (4-(3,4-dihydroxyphenyl)-6-[(4-fluorophenyl)sulfony...) | PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 1.52E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q24B2ZQ2 | |||||||||||
More data for this Ligand-Target Pair |