BDBM50108117 CHEMBL3601925

SMILES: CCN(CC)CCNC(=O)Nc1nc2ccc(cn2n1)-c1cnc(OC)c(NS(=O)(=O)c2ccc(F)cc2)c1

InChI Key: InChIKey=YCMPAJXRYQKAKZ-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 = 50108117   

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))	BDBM50108117 (CHEMBL3601925) Show SMILES CCN(CC)CCNC(=O)Nc1nc2ccc(cn2n1)-c1cnc(OC)c(NS(=O)(=O)c2ccc(F)cc2)c1 Show InChI InChI=1S/C25H29FN8O4S/c1-4-33(5-2)13-12-27-25(35)30-24-29-22-11-6-17(16-34(22)31-24)18-14-21(23(38-3)28-15-18)32-39(36,37)20-9-7-19(26)8-10-20/h6-11,14-16,32H,4-5,12-13H2,1-3H3,(H2,27,30,31,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) assessed as reduction of ATP level after 40 mins by luciferase based luminescence assay				Bioorg Med Chem 23: 5662-71 (2015) BindingDB Entry DOI: 10.7270/Q2VX0J9B
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50108117 (CHEMBL3601925) Show SMILES CCN(CC)CCNC(=O)Nc1nc2ccc(cn2n1)-c1cnc(OC)c(NS(=O)(=O)c2ccc(F)cc2)c1 Show InChI InChI=1S/C25H29FN8O4S/c1-4-33(5-2)13-12-27-25(35)30-24-29-22-11-6-17(16-34(22)31-24)18-14-21(23(38-3)28-15-18)32-39(36,37)20-9-7-19(26)8-10-20/h6-11,14-16,32H,4-5,12-13H2,1-3H3,(H2,27,30,31,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta (unknown origin) assessed as reduction of ATP level after 40 mins by luciferase based luminescence assay				Bioorg Med Chem 23: 5662-71 (2015) BindingDB Entry DOI: 10.7270/Q2VX0J9B
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50108117 (CHEMBL3601925) Show SMILES CCN(CC)CCNC(=O)Nc1nc2ccc(cn2n1)-c1cnc(OC)c(NS(=O)(=O)c2ccc(F)cc2)c1 Show InChI InChI=1S/C25H29FN8O4S/c1-4-33(5-2)13-12-27-25(35)30-24-29-22-11-6-17(16-34(22)31-24)18-14-21(23(38-3)28-15-18)32-39(36,37)20-9-7-19(26)8-10-20/h6-11,14-16,32H,4-5,12-13H2,1-3H3,(H2,27,30,31,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	123	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of mTOR (unknown origin) assessed as reduction of ATP level after 40 mins by luciferase based luminescence assay				Bioorg Med Chem 23: 5662-71 (2015) BindingDB Entry DOI: 10.7270/Q2VX0J9B
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50108117 (CHEMBL3601925) Show SMILES CCN(CC)CCNC(=O)Nc1nc2ccc(cn2n1)-c1cnc(OC)c(NS(=O)(=O)c2ccc(F)cc2)c1 Show InChI InChI=1S/C25H29FN8O4S/c1-4-33(5-2)13-12-27-25(35)30-24-29-22-11-6-17(16-34(22)31-24)18-14-21(23(38-3)28-15-18)32-39(36,37)20-9-7-19(26)8-10-20/h6-11,14-16,32H,4-5,12-13H2,1-3H3,(H2,27,30,31,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) assessed as reduction of ATP level after 40 mins by luciferase based luminescence assay				Bioorg Med Chem 23: 5662-71 (2015) BindingDB Entry DOI: 10.7270/Q2VX0J9B
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50108117 (CHEMBL3601925) Show SMILES CCN(CC)CCNC(=O)Nc1nc2ccc(cn2n1)-c1cnc(OC)c(NS(=O)(=O)c2ccc(F)cc2)c1 Show InChI InChI=1S/C25H29FN8O4S/c1-4-33(5-2)13-12-27-25(35)30-24-29-22-11-6-17(16-34(22)31-24)18-14-21(23(38-3)28-15-18)32-39(36,37)20-9-7-19(26)8-10-20/h6-11,14-16,32H,4-5,12-13H2,1-3H3,(H2,27,30,31,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma (unknown origin) assessed as reduction of ATP level after 40 mins by luciferase based luminescence assay				Bioorg Med Chem 23: 5662-71 (2015) BindingDB Entry DOI: 10.7270/Q2VX0J9B
					More data for this Ligand-Target Pair