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SMILES: C[C@H]1CN(CCN1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(C)=O

InChI Key: InChIKey=WSXJZZRZKYHADL-SFHVURJKSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50232440   

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))	BDBM50232440 (CHEMBL4083101 | US10214537, Example 618) Show SMILES C[C@H]1CN(CCN1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(C)=O |r| Show InChI InChI=1S/C27H32N8O2/c1-18-16-32(19(2)36)10-11-33(18)22-5-3-4-20(14-22)25-15-23(26-27(28)29-17-31-35(25)26)24-6-9-30-34(24)21-7-12-37-13-8-21/h3-6,9,14-15,17-18,21H,7-8,10-13,16H2,1-2H3,(H2,28,29,31)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50232440 (CHEMBL4083101 | US10214537, Example 618) Show SMILES C[C@H]1CN(CCN1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(C)=O |r| Show InChI InChI=1S/C27H32N8O2/c1-18-16-32(19(2)36)10-11-33(18)22-5-3-4-20(14-22)25-15-23(26-27(28)29-17-31-35(25)26)24-6-9-30-34(24)21-7-12-37-13-8-21/h3-6,9,14-15,17-18,21H,7-8,10-13,16H2,1-2H3,(H2,28,29,31)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70	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