BDBM59704 1-(3,4-dichlorophenyl)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]urea::1-(3,4-dichlorophenyl)-3-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]urea::1-(3,4-dichlorophenyl)-3-[4-[(3,4-dimethylisoxazol-5-yl)sulfamoyl]phenyl]urea::4-({[(3,4-dichlorophenyl)amino]carbonyl}amino)-N-(3,4-dimethyl-5-isoxazolyl)benzenesulfonamide::MLS000050956::SMR000078689::cid_1188014
SMILES: Cc1noc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)c1C
InChI Key: InChIKey=MFDXKWQZOYSRTF-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Purinergic receptor P2Y1 (Homo sapiens (Human)) | BDBM59704 (1-(3,4-dichlorophenyl)-3-[4-[(3,4-dimethyl-1,2-oxa...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health Curated by ChEMBL | Assay Description Displacement of [125I]MRS2500 from human P2Y1R expressed in Sf9 cell membrane | Bioorg Med Chem 20: 5254-61 (2012) Article DOI: 10.1016/j.bmc.2012.06.044 BindingDB Entry DOI: 10.7270/Q2BP03V2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Purinergic receptor P2Y1 (Homo sapiens (Human)) | BDBM59704 (1-(3,4-dichlorophenyl)-3-[4-[(3,4-dimethyl-1,2-oxa...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health Curated by ChEMBL | Assay Description Antagonist activity at human P2Y1R expressed in human 1321N1 cells assessed as inhibition of 2-MeSADP-induced increase in intracellular inositol phos... | Bioorg Med Chem 20: 5254-61 (2012) Article DOI: 10.1016/j.bmc.2012.06.044 BindingDB Entry DOI: 10.7270/Q2BP03V2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
leucine aminopeptidase (Plasmodium falciparum 3D7) | BDBM59704 (1-(3,4-dichlorophenyl)-3-[4-[(3,4-dimethyl-1,2-oxa...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 9.03E+3 | 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 (2009) BindingDB Entry DOI: 10.7270/Q27W69N8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
TPA: Essential protein of the mitochondrial intermembrane space (Saccharomyces cerevisiae S288c) | BDBM59704 (1-(3,4-dichlorophenyl)-3-[4-[(3,4-dimethyl-1,2-oxa...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 4.31E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2F18X6W | |||||||||||
More data for this Ligand-Target Pair |