BDBM47557 2-(cyclooctylamino)-9,10-dimethoxy-6,7-dihydropyrimid[6,1-a]isoquinolin-4-one::2-(cyclooctylamino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one::MLS000041512::SMR000045994::cid_665008
SMILES: COc1cc2CCn3c(cc(NC4CCCCCCC4)nc3=O)-c2cc1OC
InChI Key: InChIKey=QPWXXERDEUSDEZ-UHFFFAOYSA-N
Data: 2 EC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
FXN frataxin (Aspergillus niger) | BDBM47557![]() (2-(cyclooctylamino)-9,10-dimethoxy-6,7-dihydropyri...) | UniProtKB/SwissProt GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | >5.97E+4 | 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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2PK0DN5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
glutathione S-transferase (Homo sapiens (Human)) | BDBM47557![]() (2-(cyclooctylamino)-9,10-dimethoxy-6,7-dihydropyri...) | 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 | n/a | n/a | 2.05E+4 | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-re... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2ZC8184 | |||||||||||
More data for this Ligand-Target Pair |