BDBM84006 6-[3-[4-(3-chlorophenyl)-1-piperazinyl]-2-methyl-3-oxopropyl]sulfonyl-4H-1,4-benzothiazin-3-one::6-[3-[4-(3-chlorophenyl)piperazin-1-yl]-2-methyl-3-oxidanylidene-propyl]sulfonyl-4H-1,4-benzothiazin-3-one::6-[3-[4-(3-chlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]sulfonyl-4H-1,4-benzothiazin-3-one::6-[3-[4-(3-chlorophenyl)piperazino]-3-keto-2-methyl-propyl]sulfonyl-4H-1,4-benzothiazin-3-one::MLS001116611::SMR000630024::cid_20923271
SMILES: CC(CS(=O)(=O)c1ccc2SCC(=O)Nc2c1)C(=O)N1CCN(CC1)c1cccc(Cl)c1
InChI Key: InChIKey=XCHAICDHTMMNAR-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Caspase-9 (Homo sapiens (Human)) | BDBM84006 (6-[3-[4-(3-chlorophenyl)-1-piperazinyl]-2-methyl-3...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 5.12E+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 (SBIMR, San Diego, C... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q25M647F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Apoptotic peptidase activating factor 1 (Homo sapiens (Human)) | BDBM84006 (6-[3-[4-(3-chlorophenyl)-1-piperazinyl]-2-methyl-3...) | PDB MMDB 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 | 7.43E+3 | 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 (SBIMR, San Diego, C... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q29C6VXX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Apoptotic peptidase activating factor 1 (Homo sapiens (Human)) | BDBM84006 (6-[3-[4-(3-chlorophenyl)-1-piperazinyl]-2-methyl-3...) | PDB MMDB 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 | >1.00E+5 | 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 (SBIMR, San Diego, C... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2SB447H | |||||||||||
More data for this Ligand-Target Pair |