BDBM50347090 CHEMBL1796276

SMILES: CNC(=O)c1ccc2-c3sc(cc3CCOc2c1)C(=O)N(C)c1ccccc1Cl

InChI Key: InChIKey=MAUSGNVMOUOQFG-UHFFFAOYSA-N

Data: 3 KI

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 = 50347090   

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))	BDBM50347090 (CHEMBL1796276) Show SMILES CNC(=O)c1ccc2-c3sc(cc3CCOc2c1)C(=O)N(C)c1ccccc1Cl Show InChI InChI=1S/C22H19ClN2O3S/c1-24-21(26)14-7-8-15-18(11-14)28-10-9-13-12-19(29-20(13)15)22(27)25(2)17-6-4-3-5-16(17)23/h3-8,11-12H,9-10H2,1-2H3,(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Apparent binding affinity to PI3Kalpha using PIP3 as substrate after 30 mins by fluorescence polarization assay				J Med Chem 54: 7815-33 (2011) Article DOI: 10.1021/jm2007084 BindingDB Entry DOI: 10.7270/Q2057GCQ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50347090 (CHEMBL1796276) Show SMILES CNC(=O)c1ccc2-c3sc(cc3CCOc2c1)C(=O)N(C)c1ccccc1Cl Show InChI InChI=1S/C22H19ClN2O3S/c1-24-21(26)14-7-8-15-18(11-14)28-10-9-13-12-19(29-20(13)15)22(27)25(2)17-6-4-3-5-16(17)23/h3-8,11-12H,9-10H2,1-2H3,(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant PI3Kalpha assessed as inhibition of PIP3 formation by fluorescence polarization assay				Bioorg Med Chem Lett 21: 4054-8 (2011) Article DOI: 10.1016/j.bmcl.2011.04.124 BindingDB Entry DOI: 10.7270/Q29G5N57
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50347090 (CHEMBL1796276) Show SMILES CNC(=O)c1ccc2-c3sc(cc3CCOc2c1)C(=O)N(C)c1ccccc1Cl Show InChI InChI=1S/C22H19ClN2O3S/c1-24-21(26)14-7-8-15-18(11-14)28-10-9-13-12-19(29-20(13)15)22(27)25(2)17-6-4-3-5-16(17)23/h3-8,11-12H,9-10H2,1-2H3,(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Apparent binding affinity to PI3Kbeta using PIP3 as substrate after 30 mins by fluorescence polarization assay				J Med Chem 54: 7815-33 (2011) Article DOI: 10.1021/jm2007084 BindingDB Entry DOI: 10.7270/Q2057GCQ
					More data for this Ligand-Target Pair