BDBM50239124 CHEMBL4102511

SMILES: CN(C)C(=O)c1cc([C@H]2CCCN2c2ccc(F)cc2)c2oc(cc(=O)c2c1)N1CCOCC1

InChI Key: InChIKey=JJISBRLBXMGCRF-JOCHJYFZSA-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 = 50239124   

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))	BDBM50239124 (CHEMBL4102511) Show SMILES CN(C)C(=O)c1cc([C@H]2CCCN2c2ccc(F)cc2)c2oc(cc(=O)c2c1)N1CCOCC1 |r| Show InChI InChI=1S/C26H28FN3O4/c1-28(2)26(32)17-14-20(22-4-3-9-30(22)19-7-5-18(27)6-8-19)25-21(15-17)23(31)16-24(34-25)29-10-12-33-13-11-29/h5-8,14-16,22H,3-4,9-13H2,1-2H3/t22-/m1/s1	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	3.40	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta in PTEN-deficient human MDA-MB-468 cells assessed as decrease in AKT phosphorylation at Ser473 measured after 2 hrs				Bioorg Med Chem Lett 27: 1949-1954 (2017) Article DOI: 10.1016/j.bmcl.2017.03.027 BindingDB Entry DOI: 10.7270/Q2SB47W8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50239124 (CHEMBL4102511) Show SMILES CN(C)C(=O)c1cc([C@H]2CCCN2c2ccc(F)cc2)c2oc(cc(=O)c2c1)N1CCOCC1 |r| Show InChI InChI=1S/C26H28FN3O4/c1-28(2)26(32)17-14-20(22-4-3-9-30(22)19-7-5-18(27)6-8-19)25-21(15-17)23(31)16-24(34-25)29-10-12-33-13-11-29/h5-8,14-16,22H,3-4,9-13H2,1-2H3/t22-/m1/s1	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	24	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human PI3Kalpha using PIP2 as substrate preincubated for 20 mins followed by substrate addition measured after 80 mins in p...				Bioorg Med Chem Lett 27: 1949-1954 (2017) Article DOI: 10.1016/j.bmcl.2017.03.027 BindingDB Entry DOI: 10.7270/Q2SB47W8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50239124 (CHEMBL4102511) Show SMILES CN(C)C(=O)c1cc([C@H]2CCCN2c2ccc(F)cc2)c2oc(cc(=O)c2c1)N1CCOCC1 |r| Show InChI InChI=1S/C26H28FN3O4/c1-28(2)26(32)17-14-20(22-4-3-9-30(22)19-7-5-18(27)6-8-19)25-21(15-17)23(31)16-24(34-25)29-10-12-33-13-11-29/h5-8,14-16,22H,3-4,9-13H2,1-2H3/t22-/m1/s1	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	330	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human PI3Kgamma using PIP2 as substrate preincubated for 20 mins followed by substrate addition measured after 80 mins in p...				Bioorg Med Chem Lett 27: 1949-1954 (2017) Article DOI: 10.1016/j.bmcl.2017.03.027 BindingDB Entry DOI: 10.7270/Q2SB47W8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50239124 (CHEMBL4102511) Show SMILES CN(C)C(=O)c1cc([C@H]2CCCN2c2ccc(F)cc2)c2oc(cc(=O)c2c1)N1CCOCC1 |r| Show InChI InChI=1S/C26H28FN3O4/c1-28(2)26(32)17-14-20(22-4-3-9-30(22)19-7-5-18(27)6-8-19)25-21(15-17)23(31)16-24(34-25)29-10-12-33-13-11-29/h5-8,14-16,22H,3-4,9-13H2,1-2H3/t22-/m1/s1	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	8.20	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human PI3Kdelta using PIP2 as substrate preincubated for 20 mins followed by substrate addition measured after 80 mins in p...				Bioorg Med Chem Lett 27: 1949-1954 (2017) Article DOI: 10.1016/j.bmcl.2017.03.027 BindingDB Entry DOI: 10.7270/Q2SB47W8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50239124 (CHEMBL4102511) Show SMILES CN(C)C(=O)c1cc([C@H]2CCCN2c2ccc(F)cc2)c2oc(cc(=O)c2c1)N1CCOCC1 |r| Show InChI InChI=1S/C26H28FN3O4/c1-28(2)26(32)17-14-20(22-4-3-9-30(22)19-7-5-18(27)6-8-19)25-21(15-17)23(31)16-24(34-25)29-10-12-33-13-11-29/h5-8,14-16,22H,3-4,9-13H2,1-2H3/t22-/m1/s1	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	6.70	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human PI3Kbeta using PIP2 as substrate preincubated for 20 mins followed by substrate addition measured after 80 mins in pr...				Bioorg Med Chem Lett 27: 1949-1954 (2017) Article DOI: 10.1016/j.bmcl.2017.03.027 BindingDB Entry DOI: 10.7270/Q2SB47W8
					More data for this Ligand-Target Pair