BDBM358591 4-acetyl-1-(3-(4-amino-5- chloropyrrolo[2,1-f][1,2,4]triazin-7- yl)phenyl)-6-(hydroxymethyl)-3,3- dimethylpiperazin-2-one::US10214537, Example 668

SMILES: CC(=O)N1CC(CO)N(C(=O)C1(C)C)c1cccc(c1)-c1cc(Cl)c2c(N)ncnn12

InChI Key: InChIKey=RBRNULWGKSDUEF-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 = 358591   

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))	BDBM358591 (4-acetyl-1-(3-(4-amino-5- chloropyrrolo[2,1-f][1,2...) Show SMILES CC(=O)N1CC(CO)N(C(=O)C1(C)C)c1cccc(c1)-c1cc(Cl)c2c(N)ncnn12 Show InChI InChI=1S/C21H23ClN6O3/c1-12(30)26-9-15(10-29)27(20(31)21(26,2)3)14-6-4-5-13(7-14)17-8-16(22)18-19(23)24-11-25-28(17)18/h4-8,11,15,29H,9-10H2,1-3H3,(H2,23,24,25)	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
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