BDBM358188 1-(4-(3-(4-amino-5-(1-(tetrahydro-2H- pyran-4-yl)-1H-1,2,3-triazol-5-yl) pyrrolo[2,1-f][1,2,4]triazin-7-yl) phenyl)-3-(pyridin-3-yl)piperazin-1- yl)ethanone::US10214537, Example 257

SMILES: CC(=O)N1CCN(C(C1)c1cccnc1)c1cccc(c1)-c1cc(-c2cnnn2C2CCOCC2)c2c(N)ncnn12

InChI Key: InChIKey=NNDPVHFOVISDJH-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 = 358188   

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))	BDBM358188 (1-(4-(3-(4-amino-5-(1-(tetrahydro-2H- pyran-4-yl)-...) Show SMILES CC(=O)N1CCN(C(C1)c1cccnc1)c1cccc(c1)-c1cc(-c2cnnn2C2CCOCC2)c2c(N)ncnn12 Show InChI InChI=1S/C30H32N10O2/c1-20(41)37-10-11-38(28(18-37)22-5-3-9-32-16-22)24-6-2-4-21(14-24)26-15-25(29-30(31)33-19-35-40(26)29)27-17-34-36-39(27)23-7-12-42-13-8-23/h2-6,9,14-17,19,23,28H,7-8,10-13,18H2,1H3,(H2,31,33,35)	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