BDBM58032 2-(1,3-Dioxo-indan-2-yl)-2-(2-methyl-1H-indol-3-yl)-malononitrile::2-(1,3-diketoindan-2-yl)-2-(2-methyl-1H-indol-3-yl)malononitrile::2-(1,3-dioxo-2-indenyl)-2-(2-methyl-1H-indol-3-yl)propanedinitrile::2-(1,3-dioxoinden-2-yl)-2-(2-methyl-1H-indol-3-yl)propanedinitrile::2-[1,3-bis(oxidanylidene)inden-2-yl]-2-(2-methyl-1H-indol-3-yl)propanedinitrile::MLS000779290::SMR000416004::US10278929, Compound 11::cid_582632
SMILES: Cc1[nH]c2ccccc2c1C(C#N)(C#N)C1C(=O)c2ccccc2C1=O
InChI Key: InChIKey=STVUWNZRVYWDSV-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Streptokinase A (Streptococcus pyogenes M1 GAS) | BDBM58032 (2-(1,3-Dioxo-indan-2-yl)-2-(2-methyl-1H-indol-3-yl...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 1.50E+5 | n/a | n/a | n/a | n/a |
Broad Institute Curated by PubChem BioAssay | Assay Description Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2736PBV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Apoptotic protease-activating factor 1 (Homo sapiens (Human)) | BDBM58032 (2-(1,3-Dioxo-indan-2-yl)-2-(2-methyl-1H-indol-3-yl...) | 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 | >1.00E+5 | 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/Q2JS9NZB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Transthyretin (Homo sapiens (Human)) | BDBM58032 (2-(1,3-Dioxo-indan-2-yl)-2-(2-methyl-1H-indol-3-yl...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 586 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck | Assay Description The FP assay was then adapted for HTS and used to screen a ˜120,000 member small molecule library for compounds that displaced the FP probe from the ... | Bioorg Med Chem Lett 18: 3456-61 (2008) BindingDB Entry DOI: 10.7270/Q2H70J43 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mitochondrial peptide methionine sulfoxide reductase (Bos taurus) | BDBM58032 (2-(1,3-Dioxo-indan-2-yl)-2-(2-methyl-1H-indol-3-yl...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.21E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2639NCQ | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Apoptotic protease-activating factor 1 (Homo sapiens (Human)) | BDBM58032 (2-(1,3-Dioxo-indan-2-yl)-2-(2-methyl-1H-indol-3-yl...) | 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 | >1.00E+5 | 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/Q2F18X8S | |||||||||||
More data for this Ligand-Target Pair |