BDBM50396642 CHEMBL2171939

SMILES: CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CCN(CC3)C(C)(C)C(N)=O)n(C)c2n1

InChI Key: InChIKey=HHEZTSWNWDNXKB-UHFFFAOYSA-N

Data: 2 KI  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 3 hits for monomerid = 50396642   

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))	BDBM50396642 (CHEMBL2171939) Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CCN(CC3)C(C)(C)C(N)=O)n(C)c2n1 Show InChI InChI=1S/C28H38N10O2/c1-5-21-30-19-8-6-7-9-20(19)38(21)27-32-24-23(25(33-27)36-14-16-40-17-15-36)31-22(34(24)4)18-35-10-12-37(13-11-35)28(2,3)26(29)39/h6-9H,5,10-18H2,1-4H3,(H2,29,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) assessed as formation of PIP3 by competitive fluorescence polarization assay				Bioorg Med Chem Lett 23: 4953-9 (2013) Article DOI: 10.1016/j.bmcl.2013.06.052 BindingDB Entry DOI: 10.7270/Q2ZG6TP9
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50396642 (CHEMBL2171939) Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CCN(CC3)C(C)(C)C(N)=O)n(C)c2n1 Show InChI InChI=1S/C28H38N10O2/c1-5-21-30-19-8-6-7-9-20(19)38(21)27-32-24-23(25(33-27)36-14-16-40-17-15-36)31-22(34(24)4)18-35-10-12-37(13-11-35)28(2,3)26(29)39/h6-9H,5,10-18H2,1-4H3,(H2,29,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) assessed as formation of PIP3 by competitive fluorescence polarization assay				Bioorg Med Chem Lett 23: 4953-9 (2013) Article DOI: 10.1016/j.bmcl.2013.06.052 BindingDB Entry DOI: 10.7270/Q2ZG6TP9
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50396642 (CHEMBL2171939) Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CCN(CC3)C(C)(C)C(N)=O)n(C)c2n1 Show InChI InChI=1S/C28H38N10O2/c1-5-21-30-19-8-6-7-9-20(19)38(21)27-32-24-23(25(33-27)36-14-16-40-17-15-36)31-22(34(24)4)18-35-10-12-37(13-11-35)28(2,3)26(29)39/h6-9H,5,10-18H2,1-4H3,(H2,29,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of recombinant PI3Kdelta assessed as inhibition of PIP3 production for 30 mins by fluorescence polarization assay				J Med Chem 55: 7686-95 (2012) Article DOI: 10.1021/jm300717c BindingDB Entry DOI: 10.7270/Q2DB8302
					More data for this Ligand-Target Pair