BDBM77503 MLS000697060::N-(3-allyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-2-(2-thienyl)cinchoninamide::N-(3-prop-2-enyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-yl-4-quinolinecarboxamide::N-(3-prop-2-enyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-yl-quinoline-4-carboxamide::N-(3-prop-2-enyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylquinoline-4-carboxamide::SMR000237872::cid_4192032
SMILES: NS(=O)(=O)c1ccc2n(CC=C)\c(=N\C(=O)c3cc(nc4ccccc34)-c3cccs3)sc2c1
InChI Key: InChIKey=QMMOPPTXWQARSA-PNHLSOANSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Caspase-7 (Homo sapiens (Human)) | BDBM77503 (MLS000697060 | N-(3-allyl-6-sulfamoyl-1,3-benzothi...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | >3.16E+3 | 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 (SRIMSC) Affiliation: The Scripps Research Institute, TSR... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q22V2DK6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Probable nicotinate-nucleotide adenylyltransferase (Staphylococcus aureus subsp. aureus N315) | BDBM77503 (MLS000697060 | N-(3-allyl-6-sulfamoyl-1,3-benzothi...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 2.16E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2BV7F7H | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase-3 (Homo sapiens (Human)) | BDBM77503 (MLS000697060 | N-(3-allyl-6-sulfamoyl-1,3-benzothi...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 3.26E+3 | 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 (SRIMSC) Affiliation: The Scripps Research Institute, TSR... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2Z31X4P | |||||||||||
More data for this Ligand-Target Pair |