BDBM358606 (S)-4-acetyl-1-(5-(4-amino-5-(1- methyl-1H-pyrazol-4-yl)pyrrolo[2,1-f] [1,2,4]triazin-7-yl)-2-fluorophenyl)- 3,3,6-trimethylpiperazin-2-one::US10214537, Example 683

SMILES: C[C@H]1CN(C(C)=O)C(C)(C)C(=O)N1c1cc(ccc1F)-c1cc(-c2cnn(C)c2)c2c(N)ncnn12

InChI Key: InChIKey=FFXPWQSHUMQWIV-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 = 358606   

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))	BDBM358606 ((S)-4-acetyl-1-(5-(4-amino-5-(1- methyl-1H-pyrazol...) Show SMILES C[C@H]1CN(C(C)=O)C(C)(C)C(=O)N1c1cc(ccc1F)-c1cc(-c2cnn(C)c2)c2c(N)ncnn12 |r| Show InChI InChI=1S/C25H27FN8O2/c1-14-11-32(15(2)35)25(3,4)24(36)33(14)21-8-16(6-7-19(21)26)20-9-18(17-10-29-31(5)12-17)22-23(27)28-13-30-34(20)22/h6-10,12-14H,11H2,1-5H3,(H2,27,28,30)/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	0.200	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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