BDBM50230926 CHEMBL4083504

SMILES: COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncc(NC(=O)CN3CCOCC3)c(OC)c2c1

InChI Key: InChIKey=PESHAFCSMREEAN-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 = 50230926   

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
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50230926 (CHEMBL4083504) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncc(NC(=O)CN3CCOCC3)c(OC)c2c1 Show InChI InChI=1S/C28H27F2N5O6S/c1-39-27-20-11-17(3-5-22(20)31-15-24(27)33-26(36)16-35-7-9-41-10-8-35)18-12-23(28(40-2)32-14-18)34-42(37,38)25-6-4-19(29)13-21(25)30/h3-6,11-15,34H,7-10,16H2,1-2H3,(H,33,36)	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	10	n/a	n/a	n/a	n/a	n/a	n/a
Hangzhou Xixi Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal FLAG-tagged mTOR (1362-end residues) using ULight-4E-BP1 peptide substrate after 1 hr in presence of ATP b...				Eur J Med Chem 127: 509-520 (2017) BindingDB Entry DOI: 10.7270/Q2CZ39DX
					More data for this Ligand-Target Pair
p110α/p85α (Homo sapiens (Human))	BDBM50230926 (CHEMBL4083504) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncc(NC(=O)CN3CCOCC3)c(OC)c2c1 Show InChI InChI=1S/C28H27F2N5O6S/c1-39-27-20-11-17(3-5-22(20)31-15-24(27)33-26(36)16-35-7-9-41-10-8-35)18-12-23(28(40-2)32-14-18)34-42(37,38)25-6-4-19(29)13-21(25)30/h3-6,11-15,34H,7-10,16H2,1-2H3,(H,33,36)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Hangzhou Xixi Hospital Curated by ChEMBL					Assay Description Inhibition of PI3K p110alpha/p85alpha (unknown origin) using PIP2 as substrate after 1 hr by luminescent kinase-Glo assay				Eur J Med Chem 127: 509-520 (2017) BindingDB Entry DOI: 10.7270/Q2CZ39DX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50230926 (CHEMBL4083504) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncc(NC(=O)CN3CCOCC3)c(OC)c2c1 Show InChI InChI=1S/C28H27F2N5O6S/c1-39-27-20-11-17(3-5-22(20)31-15-24(27)33-26(36)16-35-7-9-41-10-8-35)18-12-23(28(40-2)32-14-18)34-42(37,38)25-6-4-19(29)13-21(25)30/h3-6,11-15,34H,7-10,16H2,1-2H3,(H,33,36)	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	0.870	n/a	n/a	n/a	n/a	n/a	n/a
Hangzhou Xixi Hospital Curated by ChEMBL					Assay Description Inhibition of PI3K p110delta (unknown origin) using PIP2 as substrate after 1 hr by ADP-Glo kinase assay				Eur J Med Chem 127: 509-520 (2017) BindingDB Entry DOI: 10.7270/Q2CZ39DX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50230926 (CHEMBL4083504) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncc(NC(=O)CN3CCOCC3)c(OC)c2c1 Show InChI InChI=1S/C28H27F2N5O6S/c1-39-27-20-11-17(3-5-22(20)31-15-24(27)33-26(36)16-35-7-9-41-10-8-35)18-12-23(28(40-2)32-14-18)34-42(37,38)25-6-4-19(29)13-21(25)30/h3-6,11-15,34H,7-10,16H2,1-2H3,(H,33,36)	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	8.40	n/a	n/a	n/a	n/a	n/a	n/a
Hangzhou Xixi Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant full length His-tagged human PI3K p110gamma expressed in baculovirus expression system using PIP2 as substrate after 1 hr b...				Eur J Med Chem 127: 509-520 (2017) BindingDB Entry DOI: 10.7270/Q2CZ39DX
					More data for this Ligand-Target Pair
p110β/p85α (Homo sapiens (Human))	BDBM50230926 (CHEMBL4083504) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncc(NC(=O)CN3CCOCC3)c(OC)c2c1 Show InChI InChI=1S/C28H27F2N5O6S/c1-39-27-20-11-17(3-5-22(20)31-15-24(27)33-26(36)16-35-7-9-41-10-8-35)18-12-23(28(40-2)32-14-18)34-42(37,38)25-6-4-19(29)13-21(25)30/h3-6,11-15,34H,7-10,16H2,1-2H3,(H,33,36)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Hangzhou Xixi Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant full length human N-terminal His6-tagged PI3K p110beta/p85alpha expressed in baculovirus infected Sf21 cells using PIP2 as ...				Eur J Med Chem 127: 509-520 (2017) BindingDB Entry DOI: 10.7270/Q2CZ39DX
					More data for this Ligand-Target Pair