BDBM54115 5-[4-Ethoxy-3-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-benzenesulfonyla mino]-2-hydroxy-benzoic acid::5-[[4-ethoxy-3-(1-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonylamino]-2-oxidanyl-benzoic acid::5-[[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonylamino]-2-hydroxybenzoic acid::5-[[4-ethoxy-3-(7-keto-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonylamino]-2-hydroxy-benzoic acid::CHEMBL1338248::MLS000777465::SMR000413792::cid_1899750
SMILES: CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)Nc1ccc(O)c(c1)C(O)=O
InChI Key: InChIKey=HQWXZTRYIWULAX-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Multidrug resistance-associated protein 5 (Homo sapiens (Human)) | BDBM54115 (5-[4-Ethoxy-3-(1-methyl-7-oxo-3-propyl-6,7-dihydro...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 65.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Troms£ Curated by ChEMBL | Assay Description Inhibition of ABCC5 in human erythrocytes assessed as inhibition of ATP-mediated [3H]cGMP uptake in inside-out vesicles after 60 mins by liquid scint... | J Med Chem 55: 3049-57 (2012) Article DOI: 10.1021/jm2014666 BindingDB Entry DOI: 10.7270/Q2SX6F89 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Zinc aminopeptidase (Plasmodium falciparum (isolate FcB1 / Columbia)) | BDBM54115 (5-[4-Ethoxy-3-(1-methyl-7-oxo-3-propyl-6,7-dihydro...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 5.53E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
SRMLSC Curated by PubChem BioAssay | Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q27H1H0J | |||||||||||
More data for this Ligand-Target Pair |