BDBM334016 9-ethyl-6-({(3S)-1-[([(1R,2S) or (1R,2R) or (1S,2R) or (1S,2S)]- methylcyclobutyl)carbonyl] pyrrolidin-3-yl}oxy)-8-(2- methylpyrimidin-5-yl)-9H- purine::US9730940, Compound 2-117::US9730940, Compound 2-118::US9730940, Compound 2-119::US9730940, Compound 2-120
SMILES: CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CCC3C)ncnc12)-c1cnc(C)nc1
InChI Key: InChIKey=JPTMQFAISGJHTH-PWZRNIHTSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human)) | BDBM334016 (9-ethyl-6-({(3S)-1-[([(1R,2S) or (1R,2R) or (1S,2R...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 7.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme US Patent | Assay Description The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4× Reactio... | US Patent US9730940 (2017) BindingDB Entry DOI: 10.7270/Q2BP04WX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human)) | BDBM334016 (9-ethyl-6-({(3S)-1-[([(1R,2S) or (1R,2R) or (1S,2R...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme US Patent | Assay Description The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4× Reactio... | US Patent US9730940 (2017) BindingDB Entry DOI: 10.7270/Q2BP04WX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human)) | BDBM334016 (9-ethyl-6-({(3S)-1-[([(1R,2S) or (1R,2R) or (1S,2R...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme US Patent | Assay Description The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4× Reactio... | US Patent US9730940 (2017) BindingDB Entry DOI: 10.7270/Q2BP04WX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human)) | BDBM334016 (9-ethyl-6-({(3S)-1-[([(1R,2S) or (1R,2R) or (1S,2R...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme US Patent | Assay Description The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4× Reactio... | US Patent US9730940 (2017) BindingDB Entry DOI: 10.7270/Q2BP04WX | |||||||||||
More data for this Ligand-Target Pair |