BDBM50396636 CHEMBL2171943

SMILES: CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2[nH]c(CN3CCC(CC3)C(C)(C)O)nc2n1

InChI Key: InChIKey=WEZQILVZKONHBW-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 = 50396636   

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))	BDBM50396636 (CHEMBL2171943) Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2[nH]c(CN3CCC(CC3)C(C)(C)O)nc2n1 Show InChI InChI=1S/C27H36N8O2/c1-4-22-28-19-7-5-6-8-20(19)35(22)26-31-24-23(25(32-26)34-13-15-37-16-14-34)29-21(30-24)17-33-11-9-18(10-12-33)27(2,3)36/h5-8,18,36H,4,9-17H2,1-3H3,(H,29,30,31,32)	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	3	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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50396636 (CHEMBL2171943) Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2[nH]c(CN3CCC(CC3)C(C)(C)O)nc2n1 Show InChI InChI=1S/C27H36N8O2/c1-4-22-28-19-7-5-6-8-20(19)35(22)26-31-24-23(25(32-26)34-13-15-37-16-14-34)29-21(30-24)17-33-11-9-18(10-12-33)27(2,3)36/h5-8,18,36H,4,9-17H2,1-3H3,(H,29,30,31,32)	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	12	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human PI3Kdelta in Ri-1 cells assessed as inhibition AKt phosphorylation incubated for 30 mins by sandwich immunoassay				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