BDBM50427489 CHEMBL2326955

SMILES: O=C(Nc1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1)c1cccnc1

InChI Key: InChIKey=YPXVODOUHMKFQU-UHFFFAOYSA-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 = 50427489   

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 alpha isoform (Homo sapiens (Human))	BDBM50427489 (CHEMBL2326955) Show SMILES O=C(Nc1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1)c1cccnc1 Show InChI InChI=1S/C23H19N3O4S/c27-19-12-20(26-8-10-29-11-9-26)30-21-18(14-31-22(19)21)15-3-5-17(6-4-15)25-23(28)16-2-1-7-24-13-16/h1-7,12-14H,8-11H2,(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of PI3K p110alpha (unknown origin)				J Med Chem 56: 1922-39 (2013) Article DOI: 10.1021/jm301522m BindingDB Entry DOI: 10.7270/Q2Z89DR9
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50427489 (CHEMBL2326955) Show SMILES O=C(Nc1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1)c1cccnc1 Show InChI InChI=1S/C23H19N3O4S/c27-19-12-20(26-8-10-29-11-9-26)30-21-18(14-31-22(19)21)15-3-5-17(6-4-15)25-23(28)16-2-1-7-24-13-16/h1-7,12-14H,8-11H2,(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	244	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of PI3K p110beta (unknown origin)				J Med Chem 56: 1922-39 (2013) Article DOI: 10.1021/jm301522m BindingDB Entry DOI: 10.7270/Q2Z89DR9
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50427489 (CHEMBL2326955) Show SMILES O=C(Nc1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1)c1cccnc1 Show InChI InChI=1S/C23H19N3O4S/c27-19-12-20(26-8-10-29-11-9-26)30-21-18(14-31-22(19)21)15-3-5-17(6-4-15)25-23(28)16-2-1-7-24-13-16/h1-7,12-14H,8-11H2,(H,25,28)	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	20	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of PI3K p110delta (unknown origin)				J Med Chem 56: 1922-39 (2013) Article DOI: 10.1021/jm301522m BindingDB Entry DOI: 10.7270/Q2Z89DR9
					More data for this Ligand-Target Pair