BDBM50094951 CHEMBL3589320

SMILES: CCN1C(=S)N2CCCC2c2c(nc(nc12)-c1cccc(OC)c1)N1CCOCC1

InChI Key: InChIKey=JFUGTPWTEWOYNG-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50094951   

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-phosphate 3-kinase C2 domain-containing subunit beta (Homo sapiens (Human))	BDBM50094951 (CHEMBL3589320) Show SMILES CCN1C(=S)N2CCCC2c2c(nc(nc12)-c1cccc(OC)c1)N1CCOCC1 Show InChI InChI=1S/C20H19N3O/c1-14(2)23-20(24)17-13-22(12-15-8-4-3-5-9-15)18-11-7-6-10-16(18)19(17)21-23/h3-11,13-14H,12H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.08E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cairo University Curated by ChEMBL					Assay Description Inhibition of Glu-tagged PI3KC2beta (unknown origin) expressed in Sf9/Baculovirus system using [gamma-33P]ATP by scintillation proximity assay				Eur J Med Chem 99: 1-13 (2015) Article DOI: 10.1016/j.ejmech.2015.05.036 BindingDB Entry DOI: 10.7270/Q2SF2XWT
					More data for this Ligand-Target Pair
PI3-kinase p110-alpha subunit (Bos taurus)	BDBM50094951 (CHEMBL3589320) Show SMILES CCN1C(=S)N2CCCC2c2c(nc(nc12)-c1cccc(OC)c1)N1CCOCC1 Show InChI InChI=1S/C20H19N3O/c1-14(2)23-20(24)17-13-22(12-15-8-4-3-5-9-15)18-11-7-6-10-16(18)19(17)21-23/h3-11,13-14H,12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	234	n/a	n/a	n/a	n/a	n/a	n/a
Cairo University Curated by ChEMBL					Assay Description Inhibition of GST-tagged bovine p110alpha expressed in Sf9/Baculovirus system using [gamma-33P]ATP by scintillation proximity assay				Eur J Med Chem 99: 1-13 (2015) Article DOI: 10.1016/j.ejmech.2015.05.036 BindingDB Entry DOI: 10.7270/Q2SF2XWT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50094951 (CHEMBL3589320) Show SMILES CCN1C(=S)N2CCCC2c2c(nc(nc12)-c1cccc(OC)c1)N1CCOCC1 Show InChI InChI=1S/C20H19N3O/c1-14(2)23-20(24)17-13-22(12-15-8-4-3-5-9-15)18-11-7-6-10-16(18)19(17)21-23/h3-11,13-14H,12H2,1-2H3	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	1.46E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cairo University Curated by ChEMBL					Assay Description Inhibition of GST-tagged p110delta (unknown origin) expressed in Sf9/Baculovirus system using [gamma-33P]ATP by scintillation proximity assay				Eur J Med Chem 99: 1-13 (2015) Article DOI: 10.1016/j.ejmech.2015.05.036 BindingDB Entry DOI: 10.7270/Q2SF2XWT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50094951 (CHEMBL3589320) Show SMILES CCN1C(=S)N2CCCC2c2c(nc(nc12)-c1cccc(OC)c1)N1CCOCC1 Show InChI InChI=1S/C20H19N3O/c1-14(2)23-20(24)17-13-22(12-15-8-4-3-5-9-15)18-11-7-6-10-16(18)19(17)21-23/h3-11,13-14H,12H2,1-2H3	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	9.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cairo University Curated by ChEMBL					Assay Description Inhibition of His-tagged p110gamma (unknown origin) expressed in Sf9/Baculovirus system using [gamma-33P]ATP by scintillation proximity assay				Eur J Med Chem 99: 1-13 (2015) Article DOI: 10.1016/j.ejmech.2015.05.036 BindingDB Entry DOI: 10.7270/Q2SF2XWT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50094951 (CHEMBL3589320) Show SMILES CCN1C(=S)N2CCCC2c2c(nc(nc12)-c1cccc(OC)c1)N1CCOCC1 Show InChI InChI=1S/C20H19N3O/c1-14(2)23-20(24)17-13-22(12-15-8-4-3-5-9-15)18-11-7-6-10-16(18)19(17)21-23/h3-11,13-14H,12H2,1-2H3	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	2.62E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cairo University Curated by ChEMBL					Assay Description Inhibition of GST-tagged human p110beta expressed in Sf9/Baculovirus system using [gamma-33P]ATP by scintillation proximity assay				Eur J Med Chem 99: 1-13 (2015) Article DOI: 10.1016/j.ejmech.2015.05.036 BindingDB Entry DOI: 10.7270/Q2SF2XWT
					More data for this Ligand-Target Pair