BDBM358602 (S)-4-acetyl-1-(5-(4-amino-5-(1-(2,2,2- trifluoroethyl)-1H-pyrazol-5-yl)pyrrolo [2,1-f][1,2,4]triazin-7-yl)-2- fluorophenyl)-3,3,6- trimethylpiperazin-2-one::US10214537, Example 679

SMILES: C[C@H]1CN(C(C)=O)C(C)(C)C(=O)N1c1cc(ccc1F)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12

InChI Key: InChIKey=JCDVVSIVAWSMRQ-AWEZNQCLSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 358602   

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))	BDBM358602 ((S)-4-acetyl-1-(5-(4-amino-5-(1-(2,2,2- trifluoroe...) Show SMILES C[C@H]1CN(C(C)=O)C(C)(C)C(=O)N1c1cc(ccc1F)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12 |r| Show InChI InChI=1S/C26H26F4N8O2/c1-14-11-35(15(2)39)25(3,4)24(40)37(14)21-9-16(5-6-18(21)27)20-10-17(22-23(31)32-13-34-38(20)22)19-7-8-33-36(19)12-26(28,29)30/h5-10,13-14H,11-12H2,1-4H3,(H2,31,32,34)/t14-/m0/s1	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	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr...				US Patent US10214537 (2019) BindingDB Entry DOI: 10.7270/Q2HH6NB2
					More data for this Ligand-Target Pair