BDBM47952 MLS000588669::N-(1-allyl-3-tosyl-pyrrolo[3,2-b]quinoxalin-2-yl)benzenesulfonamide::N-[1-Allyl-3-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-yl]-benzenesulfonamide::N-[3-(4-methylphenyl)sulfonyl-1-prop-2-enyl-2-pyrrolo[3,2-b]quinoxalinyl]benzenesulfonamide::N-[3-(4-methylphenyl)sulfonyl-1-prop-2-enyl-pyrrolo[3,2-b]quinoxalin-2-yl]benzenesulfonamide::N-[3-(4-methylphenyl)sulfonyl-1-prop-2-enylpyrrolo[3,2-b]quinoxalin-2-yl]benzenesulfonamide::SMR000212322::US9045483, 12::cid_1942142
SMILES: Cc1ccc(cc1)S(=O)(=O)c1c(NS(=O)(=O)c2ccccc2)n(CC=C)c2nc3ccccc3nc12
InChI Key: InChIKey=DCIBEKBKAOZGMO-UHFFFAOYSA-N
Data: 7 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Heat shock protein HSP 90-alpha (Homo sapiens (Human)) | BDBM47952 (MLS000588669 | N-(1-allyl-3-tosyl-pyrrolo[3,2-b]qu...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.61E+3 | n/a | n/a | 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) Center Affiliation: The Scripps Research Institute (TS... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q25T3HXW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ubiquitin-conjugating enzyme E2I (Homo sapiens (Human)) | BDBM47952 (MLS000588669 | N-(1-allyl-3-tosyl-pyrrolo[3,2-b]qu...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 880 | 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, C... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2V986G8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Zinc aminopeptidase (Plasmodium falciparum (isolate FcB1 / Columbia)) | BDBM47952 (MLS000588669 | N-(1-allyl-3-tosyl-pyrrolo[3,2-b]qu...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 3.62E+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 | |||||||||||||
SUMO-activating enzyme (Homo sapiens (Human)) | BDBM47952 (MLS000588669 | N-(1-allyl-3-tosyl-pyrrolo[3,2-b]qu...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
City of Hope; Sanford-Burnham Medical Research Institute US Patent | Assay Description Through the Molecular Library Probe Production Center Network (MLPCN), at least 300,000 compounds were screened using a TR-FRET method, an ALPHASCREE... | US Patent US9045483 (2015) BindingDB Entry DOI: 10.7270/Q20R9N48 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
SUMO1 activating enzyme subunit 1 (Homo sapiens (Human)) | BDBM47952 (MLS000588669 | N-(1-allyl-3-tosyl-pyrrolo[3,2-b]qu...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.50E+3 | 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, C... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2BP0175 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
tyrosyl-DNA phosphodiesterase 2 (Homo sapiens (Human)) | BDBM47952 (MLS000588669 | N-(1-allyl-3-tosyl-pyrrolo[3,2-b]qu...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 6.81E+4 | n/a | n/a | 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) Center Affiliation: The Scripps Research Institute (TS... | PubChem Bioassay (2014) BindingDB Entry DOI: 10.7270/Q2WS8RXV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
plectin 1 (Homo sapiens (Human)) | BDBM47952 (MLS000588669 | N-(1-allyl-3-tosyl-pyrrolo[3,2-b]qu...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 2.00E+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 (SBMRI, San Diego, C... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2QZ28D7 | |||||||||||
More data for this Ligand-Target Pair |