BDBM32361 2-[4-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]butyl]isoindoline-1,3-quinone::2-[4-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]butyl]isoindole-1,3-dione::2-[4-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]butyl]isoindole-1,3-dione::2-[4-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]butyl]isoindole-1,3-dione::MLS000761528::SMR000371639::cid_2097425
SMILES: CCCc1cc(=O)[nH]c(SCCCCN2C(=O)c3ccccc3C2=O)n1
InChI Key: InChIKey=GXOHAZQQMSEHFC-UHFFFAOYSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Serine/threonine-protein kinase D1 (Homo sapiens (Human)) | BDBM32361 (2-[4-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]buty...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | 7.2 | 23 |
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay | Assay Description The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2FJ2F43 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase D1 (Homo sapiens (Human)) | BDBM32361 (2-[4-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]buty...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay | Assay Description The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2ZG6QNM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-dependent kinase 7 (Homo sapiens (Human)) | BDBM32361 (2-[4-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]buty...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay | Assay Description The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2DV1H9K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human)) | BDBM32361 (2-[4-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]buty...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay | Assay Description The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2JM282R | |||||||||||
More data for this Ligand-Target Pair |