BDBM330294 Ethyl (5-(6-((4-(methylsulfonyl)piperazin-1-yl)methyl)-4-morpholinopyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)pyridin-2-yl)carbamate ::US9724352, I-32
SMILES: CCOC(=O)Nc1cc(c(cn1)-c1nc(N2CCOCC2)c2cc(CN3CCN(CC3)S(C)(=O)=O)cn2n1)C(F)(F)F
InChI Key: InChIKey=VDDZOFLILWFGHD-UHFFFAOYSA-N
Data: 2 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 alpha isoform (Homo sapiens (Human)) | BDBM330294![]() (Ethyl (5-(6-((4-(methylsulfonyl)piperazin-1-yl)met...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Phosphatidylinositol 3-kinase regulatory subunit alpha (Homo sapiens (Human)) | BDBM330294![]() (Ethyl (5-(6-((4-(methylsulfonyl)piperazin-1-yl)met...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | US Patent | n/a | n/a | 7.15 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Materia Medica, Chinese Academy of Sciences; Shanghai Haihe Pharmaceutical Co., Ltd. US Patent | Assay Description The activity of purified kinase was detected with Kinase-GloŽ Plus kinase luminescent assay by measuring the amount of the remaining Kinase in the so... | US Patent US9724352 (2017) BindingDB Entry DOI: 10.7270/Q2GM89D9 | |||||||||||
More data for this Ligand-Target Pair |