BDBM334102 5-(6-{[(3S)-1- (cyclopropylcarbonyl)pyrrolidin- 3-yl]oxy}-9-ethyl-9H-purin-8- yl)-3-(trifluoromethyl)pyridin-2- amine::US9730940, Compound 3-44
SMILES: CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnc(N)c(c1)C(F)(F)F
InChI Key: InChIKey=XGPXKEBTADULEG-ZDUSSCGKSA-N
Data: 1 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)) | BDBM334102 (5-(6-{[(3S)-1- (cyclopropylcarbonyl)pyrrolidin- 3-...) | 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 | 1.10 | 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 |