BDBM80503 MLS000687217::N-(2-methyl-3-octyl-1-phenyl-5-benzimidazol-3-iumyl)acetamide;iodide::N-(2-methyl-3-octyl-1-phenyl-benzimidazol-3-ium-5-yl)acetamide;iodide::N-(2-methyl-3-octyl-1-phenyl-benzimidazol-3-ium-5-yl)ethanamide;iodide::N-(2-methyl-3-octyl-1-phenylbenzimidazol-3-ium-5-yl)acetamide;iodide::SMR000283917::cid_16193867
SMILES: CCCCCCCCn1c(C)[n+](-c2ccccc2)c2ccc(NC(C)=O)cc12
InChI Key: InChIKey=OIPAZXPEORXZGH-UHFFFAOYSA-O
Data: 4 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
probable DNA dC->dU-editing enzyme APOBEC-3A (Homo sapiens (Human)) | BDBM80503 (MLS000687217 | N-(2-methyl-3-octyl-1-phenyl-5-benz...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.44E+3 | n/a | n/a | n/a | n/a | n/a | 25 |
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 (2011) BindingDB Entry DOI: 10.7270/Q24F1P6P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nuclear receptor coactivator 1 (Homo sapiens (Human)) | BDBM80503 (MLS000687217 | N-(2-methyl-3-octyl-1-phenyl-5-benz...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >3.59E+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) Affiliation: The Scripps Research Institute, TSRI Assa... | PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2794387 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
nuclear receptor coactivator 3 isoform a (Homo sapiens (Human)) | BDBM80503 (MLS000687217 | N-(2-methyl-3-octyl-1-phenyl-5-benz...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 4.36E+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) Affiliation: The Scripps Research Institute, TSRI Assa... | PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2C24V0K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA dC->dU-editing enzyme APOBEC-3G (Homo sapiens (Human)) | BDBM80503 (MLS000687217 | N-(2-methyl-3-octyl-1-phenyl-5-benz...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 2.66E+3 | n/a | n/a | n/a | n/a | n/a | 25 |
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 (2011) BindingDB Entry DOI: 10.7270/Q2862DX0 | |||||||||||
More data for this Ligand-Target Pair |