BDBM358689 1-(5-(4-amino-5-(trifluoromethyl) pyrrolo[2,1-f][1,2,4]triazin-7-yl)-2- methoxyphenyl)-3,3-dimethyl-4-(2- (methylsulfonyl)propanoyl)piperazin- 2-one::US10214537, Example 767

SMILES: COc1ccc(cc1N1CCN(C(=O)C(C)S(C)(=O)=O)C(C)(C)C1=O)-c1cc(c2c(N)ncnn12)C(F)(F)F

InChI Key: InChIKey=CULPQCPKYXLOSE-UHFFFAOYSA-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 = 358689   

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))	BDBM358689 (1-(5-(4-amino-5-(trifluoromethyl) pyrrolo[2,1-f][1...) Show SMILES COc1ccc(cc1N1CCN(C(=O)C(C)S(C)(=O)=O)C(C)(C)C1=O)-c1cc(c2c(N)ncnn12)C(F)(F)F Show InChI InChI=1S/C24H27F3N6O5S/c1-13(39(5,36)37)21(34)32-9-8-31(22(35)23(32,2)3)17-10-14(6-7-18(17)38-4)16-11-15(24(25,26)27)19-20(28)29-12-30-33(16)19/h6-7,10-13H,8-9H2,1-5H3,(H2,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	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
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