BDBM114202 2-methyl-4,5-dioxo-3-(phenylmethyl)-1-benzo[e]indolecarboxylic acid ethyl ester::3-benzyl-4,5-diketo-2-methyl-benz[e]indole-1-carboxylic acid ethyl ester::MLS002702495::SMR001566056::cid_406008::ethyl 2-methyl-4,5-bis(oxidanylidene)-3-(phenylmethyl)benzo[e]indole-1-carboxylate::ethyl 3-benzyl-2-methyl-4,5-dioxobenzo[e]indole-1-carboxylate
SMILES: CCOC(=O)c1c(C)n(Cc2ccccc2)c2c1-c1ccccc1C(=O)C2=O
InChI Key: InChIKey=FPJGLEYOEDMWDB-UHFFFAOYSA-N
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-3 (Homo sapiens (Human)) | BDBM114202 (2-methyl-4,5-dioxo-3-(phenylmethyl)-1-benzo[e]indo...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.23E+5 | 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 Ass... | PubChem Bioassay (2014) BindingDB Entry DOI: 10.7270/Q2S46QKQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosyl-DNA phosphodiesterase 2 (Homo sapiens (Human)) | BDBM114202 (2-methyl-4,5-dioxo-3-(phenylmethyl)-1-benzo[e]indo...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 4.78E+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 (2014) BindingDB Entry DOI: 10.7270/Q2WS8RXV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T] (Homo sapiens (Human)) | BDBM114202 (2-methyl-4,5-dioxo-3-(phenylmethyl)-1-benzo[e]indo...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 2.83E+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 Ass... | PubChem Bioassay (2014) BindingDB Entry DOI: 10.7270/Q2NC5ZV0 | |||||||||||
More data for this Ligand-Target Pair |