BDBM50202546 CHEMBL3963018

SMILES: COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccc(CN(C)C)cc3)c2c1

InChI Key: InChIKey=KPHKHHHLIKEDLQ-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 = 50202546   

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 beta isoform (Homo sapiens (Human))	BDBM50202546 (CHEMBL3963018) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccc(CN(C)C)cc3)c2c1 Show InChI InChI=1S/C30H26F2N4O3S/c1-36(2)18-19-4-6-20(7-5-19)24-12-13-33-27-10-8-21(14-25(24)27)22-15-28(30(39-3)34-17-22)35-40(37,38)29-11-9-23(31)16-26(29)32/h4-17,35H,18H2,1-3H3	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	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta (unknown origin) using PIP2 as substrate after 1 hr in presence of ATP by ADP-glo based luminescence assay				Eur J Med Chem 122: 684-701 (2016) Article DOI: 10.1016/j.ejmech.2016.06.030 BindingDB Entry DOI: 10.7270/Q2VD71FD
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50202546 (CHEMBL3963018) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccc(CN(C)C)cc3)c2c1 Show InChI InChI=1S/C30H26F2N4O3S/c1-36(2)18-19-4-6-20(7-5-19)24-12-13-33-27-10-8-21(14-25(24)27)22-15-28(30(39-3)34-17-22)35-40(37,38)29-11-9-23(31)16-26(29)32/h4-17,35H,18H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate after 1 hr in presence of ATP by ADP-glo based luminescence assay				Eur J Med Chem 122: 684-701 (2016) Article DOI: 10.1016/j.ejmech.2016.06.030 BindingDB Entry DOI: 10.7270/Q2VD71FD
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50202546 (CHEMBL3963018) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccc(CN(C)C)cc3)c2c1 Show InChI InChI=1S/C30H26F2N4O3S/c1-36(2)18-19-4-6-20(7-5-19)24-12-13-33-27-10-8-21(14-25(24)27)22-15-28(30(39-3)34-17-22)35-40(37,38)29-11-9-23(31)16-26(29)32/h4-17,35H,18H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate after 1 hr in presence of ATP by kinase-glo luminescence assay				Eur J Med Chem 122: 684-701 (2016) Article DOI: 10.1016/j.ejmech.2016.06.030 BindingDB Entry DOI: 10.7270/Q2VD71FD
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50202546 (CHEMBL3963018) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccc(CN(C)C)cc3)c2c1 Show InChI InChI=1S/C30H26F2N4O3S/c1-36(2)18-19-4-6-20(7-5-19)24-12-13-33-27-10-8-21(14-25(24)27)22-15-28(30(39-3)34-17-22)35-40(37,38)29-11-9-23(31)16-26(29)32/h4-17,35H,18H2,1-3H3	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	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of mTOR (unknown origin) using ULight-4E-BP1 peptide as substrate after 1 hr in presence of ATP by lance ultra assay				Eur J Med Chem 122: 684-701 (2016) Article DOI: 10.1016/j.ejmech.2016.06.030 BindingDB Entry DOI: 10.7270/Q2VD71FD
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50202546 (CHEMBL3963018) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccc(CN(C)C)cc3)c2c1 Show InChI InChI=1S/C30H26F2N4O3S/c1-36(2)18-19-4-6-20(7-5-19)24-12-13-33-27-10-8-21(14-25(24)27)22-15-28(30(39-3)34-17-22)35-40(37,38)29-11-9-23(31)16-26(29)32/h4-17,35H,18H2,1-3H3	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	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate after 1 hr in presence of ATP by kinase-glo luminescence assay				Eur J Med Chem 122: 684-701 (2016) Article DOI: 10.1016/j.ejmech.2016.06.030 BindingDB Entry DOI: 10.7270/Q2VD71FD
					More data for this Ligand-Target Pair