BDBM48011 1-benzyl-5-[(E)-2-nitroethenyl]indole::1-benzyl-5-[(E)-2-nitrovinyl]-1H-indole::1-benzyl-5-[(E)-2-nitrovinyl]indole::5-[(E)-2-nitroethenyl]-1-(phenylmethyl)indole::MLS001198402::SMR000559050::cid_674819
SMILES: [O-][N+](=O)\C=C\c1ccc2n(Cc3ccccc3)ccc2c1
InChI Key: InChIKey=PWAJOQMAZBVOOC-DHZHZOJOSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Heat shock protein HSP 90-alpha (Homo sapiens (Human)) | BDBM48011 (1-benzyl-5-[(E)-2-nitroethenyl]indole | 1-benzyl-5...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 2.98E+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 | |||||||||||||
Streptokinase A (Streptococcus pyogenes M1 GAS) | BDBM48011 (1-benzyl-5-[(E)-2-nitroethenyl]indole | 1-benzyl-5...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | n/a | n/a | 6.15E+3 | 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 | |||||||||||||
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human)) | BDBM48011 (1-benzyl-5-[(E)-2-nitroethenyl]indole | 1-benzyl-5...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 1.74E+3 | 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 (2012) BindingDB Entry DOI: 10.7270/Q2T15278 | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Heat shock factor protein 1 (Mus musculus) | BDBM48011 (1-benzyl-5-[(E)-2-nitroethenyl]indole | 1-benzyl-5...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | n/a | n/a | 5.71E+3 | n/a | n/a | n/a | n/a |
Broad Institute Curated by PubChem BioAssay | Assay Description Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2P55KXK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-lactamase (Pseudomonas aeruginosa) | BDBM48011 (1-benzyl-5-[(E)-2-nitroethenyl]indole | 1-benzyl-5...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 3.00E+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 (2012) BindingDB Entry DOI: 10.7270/Q2XS5T0R | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bcl-2-like protein 11 (Homo sapiens (Human)) | BDBM48011 (1-benzyl-5-[(E)-2-nitroethenyl]indole | 1-benzyl-5...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | n/a | n/a | 1.23E+4 | n/a | n/a | n/a | n/a |
Broad Institute Curated by PubChem BioAssay | Assay Description Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q24J0CKJ | |||||||||||
More data for this Ligand-Target Pair |