BDBM358363 4-acetyl-1-(5-{4-amino-5-[1-(propane- 2-sulfonyl)-1H-pyrazol-4-yl]pyrrolo [2,1-f][1,2,4]triazin-7-yl}-2- fluorophenyl)-3,3-dimethylpiperazin-2- one::US10214537, Example 433

SMILES: CC(C)S(=O)(=O)n1cc(cn1)-c1cc(-c2ccc(F)c(c2)N2CCN(C(C)=O)C(C)(C)C2=O)n2ncnc(N)c12

InChI Key: InChIKey=RSAPFVJNAKBWLT-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 = 358363   

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))	BDBM358363 (4-acetyl-1-(5-{4-amino-5-[1-(propane- 2-sulfonyl)-...) Show SMILES CC(C)S(=O)(=O)n1cc(cn1)-c1cc(-c2ccc(F)c(c2)N2CCN(C(C)=O)C(C)(C)C2=O)n2ncnc(N)c12 Show InChI InChI=1S/C26H29FN8O4S/c1-15(2)40(38,39)34-13-18(12-30-34)19-11-21(35-23(19)24(28)29-14-31-35)17-6-7-20(27)22(10-17)32-8-9-33(16(3)36)26(4,5)25(32)37/h6-7,10-15H,8-9H2,1-5H3,(H2,28,29,31)	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	0.400	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