BDBM50462630 CHEMBL4251210

SMILES: COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2OCC(=O)N(CCCN3CCOCC3)c2c1

InChI Key: InChIKey=FMUUXEYYENBMNS-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50462630   

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))	BDBM50462630 (CHEMBL4251210) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2OCC(=O)N(CCCN3CCOCC3)c2c1 Show InChI InChI=1S/C27H28F2N4O6S/c1-37-27-22(31-40(35,36)25-6-4-20(28)15-21(25)29)13-19(16-30-27)18-3-5-24-23(14-18)33(26(34)17-39-24)8-2-7-32-9-11-38-12-10-32/h3-6,13-16,31H,2,7-12,17H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human PI3K-alpha using PIP2:3PS as substrate preincubated for 15 mins followed by ATP addition measured after 1 hr by ADP-G...				Bioorg Med Chem 26: 3982-3991 (2018) Article DOI: 10.1016/j.bmc.2018.06.022 BindingDB Entry DOI: 10.7270/Q2FR0098
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50462630 (CHEMBL4251210) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2OCC(=O)N(CCCN3CCOCC3)c2c1 Show InChI InChI=1S/C27H28F2N4O6S/c1-37-27-22(31-40(35,36)25-6-4-20(28)15-21(25)29)13-19(16-30-27)18-3-5-24-23(14-18)33(26(34)17-39-24)8-2-7-32-9-11-38-12-10-32/h3-6,13-16,31H,2,7-12,17H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	185	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human PI3K-gamma using PIP2:3PS as substrate preincubated for 15 mins followed by ATP addition measured after 1 hr by ADP-G...				Bioorg Med Chem 26: 3982-3991 (2018) Article DOI: 10.1016/j.bmc.2018.06.022 BindingDB Entry DOI: 10.7270/Q2FR0098
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50462630 (CHEMBL4251210) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2OCC(=O)N(CCCN3CCOCC3)c2c1 Show InChI InChI=1S/C27H28F2N4O6S/c1-37-27-22(31-40(35,36)25-6-4-20(28)15-21(25)29)13-19(16-30-27)18-3-5-24-23(14-18)33(26(34)17-39-24)8-2-7-32-9-11-38-12-10-32/h3-6,13-16,31H,2,7-12,17H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	382	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human PI3K-beta using PIP2:3PS as substrate preincubated for 15 mins followed by ATP addition measured after 1 hr by ADP-Gl...				Bioorg Med Chem 26: 3982-3991 (2018) Article DOI: 10.1016/j.bmc.2018.06.022 BindingDB Entry DOI: 10.7270/Q2FR0098
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50462630 (CHEMBL4251210) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2OCC(=O)N(CCCN3CCOCC3)c2c1 Show InChI InChI=1S/C27H28F2N4O6S/c1-37-27-22(31-40(35,36)25-6-4-20(28)15-21(25)29)13-19(16-30-27)18-3-5-24-23(14-18)33(26(34)17-39-24)8-2-7-32-9-11-38-12-10-32/h3-6,13-16,31H,2,7-12,17H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	425	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human PI3K-delta using PIP2:3PS as substrate preincubated for 15 mins followed by ATP addition measured after 1 hr by ADP-G...				Bioorg Med Chem 26: 3982-3991 (2018) Article DOI: 10.1016/j.bmc.2018.06.022 BindingDB Entry DOI: 10.7270/Q2FR0098
					More data for this Ligand-Target Pair