BDBM50232431 CHEMBL4087086::US10214537, Example 263

SMILES: C[C@H]1CN(C)C[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12

InChI Key: InChIKey=UTALNTATWBCQKJ-KDURUIRLSA-N

Data: 3 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 3 hits for monomerid = 50232431   

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/gamma isoform (Homo sapiens (Human))	BDBM50232431 (CHEMBL4087086 | US10214537, Example 263) Show SMILES C[C@H]1CN(C)C[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12 Show InChI InChI=1S/C27H34N8O/c1-18-15-32(3)16-19(2)33(18)22-6-4-5-20(13-22)25-14-23(26-27(28)29-17-31-35(25)26)24-7-10-30-34(24)21-8-11-36-12-9-21/h4-7,10,13-14,17-19,21H,8-9,11-12,15-16H2,1-3H3,(H2,28,29,31)/t18-,19+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.40	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) Article DOI: 10.1016/j.bmcl.2017.01.016 BindingDB Entry DOI: 10.7270/Q2BR8VFH
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform (Homo sapiens (Human))	BDBM50232431 (CHEMBL4087086 | US10214537, Example 263) Show SMILES C[C@H]1CN(C)C[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12 Show InChI InChI=1S/C27H34N8O/c1-18-15-32(3)16-19(2)33(18)22-6-4-5-20(13-22)25-14-23(26-27(28)29-17-31-35(25)26)24-7-10-30-34(24)21-8-11-36-12-9-21/h4-7,10,13-14,17-19,21H,8-9,11-12,15-16H2,1-3H3,(H2,28,29,31)/t18-,19+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	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)
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform (Homo sapiens (Human))	BDBM50232431 (CHEMBL4087086 | US10214537, Example 263) Show SMILES C[C@H]1CN(C)C[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12 Show InChI InChI=1S/C27H34N8O/c1-18-15-32(3)16-19(2)33(18)22-6-4-5-20(13-22)25-14-23(26-27(28)29-17-31-35(25)26)24-7-10-30-34(24)21-8-11-36-12-9-21/h4-7,10,13-14,17-19,21H,8-9,11-12,15-16H2,1-3H3,(H2,28,29,31)/t18-,19+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	239	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta in human whole blood assessed as suppression of CD69 expression incubated for 60 mins				Bioorg Med Chem Lett 27: 855-861 (2017) Article DOI: 10.1016/j.bmcl.2017.01.016 BindingDB Entry DOI: 10.7270/Q2BR8VFH
					More data for this Ligand-Target Pair