BDBM50072962 CHEMBL3410675

SMILES: CCNC(=O)Nc1ccc(cc1)-c1nc(CS(C)(=O)=O)cc(n1)N1CCOCC1

InChI Key: InChIKey=SQABLTLUVYXNAO-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 = 50072962   

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))	BDBM50072962 (CHEMBL3410675) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(CS(C)(=O)=O)cc(n1)N1CCOCC1 Show InChI InChI=1S/C19H25N5O4S/c1-3-20-19(25)22-15-6-4-14(5-7-15)18-21-16(13-29(2,26)27)12-17(23-18)24-8-10-28-11-9-24/h4-7,12H,3,8-11,13H2,1-2H3,(H2,20,22,25)	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	562	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant PI3Kalpha (unknown origin) using biotinylated PIP2 as substrate				J Med Chem 58: 2326-49 (2015) Article DOI: 10.1021/jm501778s BindingDB Entry DOI: 10.7270/Q2DF6SW8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50072962 (CHEMBL3410675) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(CS(C)(=O)=O)cc(n1)N1CCOCC1 Show InChI InChI=1S/C19H25N5O4S/c1-3-20-19(25)22-15-6-4-14(5-7-15)18-21-16(13-29(2,26)27)12-17(23-18)24-8-10-28-11-9-24/h4-7,12H,3,8-11,13H2,1-2H3,(H2,20,22,25)	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	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition and measured after 1 hr by H...				J Med Chem 62: 6972-6984 (2019) Article DOI: 10.1021/acs.jmedchem.9b00348
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50072962 (CHEMBL3410675) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(CS(C)(=O)=O)cc(n1)N1CCOCC1 Show InChI InChI=1S/C19H25N5O4S/c1-3-20-19(25)22-15-6-4-14(5-7-15)18-21-16(13-29(2,26)27)12-17(23-18)24-8-10-28-11-9-24/h4-7,12H,3,8-11,13H2,1-2H3,(H2,20,22,25)	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	3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition and measured after 1 hr by H...				J Med Chem 62: 6972-6984 (2019) Article DOI: 10.1021/acs.jmedchem.9b00348
					More data for this Ligand-Target Pair