BDBM284872 7-(2-(4-(oxetan-3-yl)piperazin-1- yl)pyridin-4-yl)-5-(1-(tetrahydro-2H- pyran-4-yl)-1H-pyrazol-5-yl)pyrrolo [2,1-f][1,2,4]triazin-4-amine::US10023576, Example 63

SMILES: Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1ccnc(c1)N1CCN(CC1)C1COC1

InChI Key: InChIKey=NICDXIDBVZCYOJ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 284872   

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))	BDBM284872 (7-(2-(4-(oxetan-3-yl)piperazin-1- yl)pyridin-4-yl)...) Show SMILES Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1ccnc(c1)N1CCN(CC1)C1COC1 Show InChI InChI=1S/C26H31N9O2/c27-26-25-21(22-2-6-30-34(22)19-3-11-36-12-4-19)14-23(35(25)31-17-29-26)18-1-5-28-24(13-18)33-9-7-32(8-10-33)20-15-37-16-20/h1-2,5-6,13-14,17,19-20H,3-4,7-12,15-16H2,(H2,27,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2:PS as substrate incubated for 3 hrs by ADP-Glo assay				Bioorg Med Chem Lett 27: 855-861 (2017) BindingDB Entry DOI: 10.7270/Q2BR8VFH
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM284872 (7-(2-(4-(oxetan-3-yl)piperazin-1- yl)pyridin-4-yl)...) Show SMILES Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1ccnc(c1)N1CCN(CC1)C1COC1 Show InChI InChI=1S/C26H31N9O2/c27-26-25-21(22-2-6-30-34(22)19-3-11-36-12-4-19)14-23(35(25)31-17-29-26)18-1-5-28-24(13-18)33-9-7-32(8-10-33)20-15-37-16-20/h1-2,5-6,13-14,17,19-20H,3-4,7-12,15-16H2,(H2,27,29,31)	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	1	n/a	n/a	n/a	n/a	7.5	25
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 US10023576 (2018) BindingDB Entry DOI: 10.7270/Q2FQ9ZND
					More data for this Ligand-Target Pair