BDBM50094474 CHEMBL3590220

SMILES: CN(C)CC(=O)N1CCC(CC1)n1ccc(n1)-c1cnc(N)c(n1)-n1nnc2ccccc12

InChI Key: InChIKey=UGYPGJCVNPPUPE-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 = 50094474   

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))	BDBM50094474 (CHEMBL3590220) Show SMILES CN(C)CC(=O)N1CCC(CC1)n1ccc(n1)-c1cnc(N)c(n1)-n1nnc2ccccc12 Show InChI InChI=1S/C20H23NO3/c1-21-14-12-18(13-15-21)24-19(22)20(23,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18,23H,12-15H2,1H3	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	27	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/ATP as substrate preincubated for 20 mins followed by substrate addition measured after 80 mins ...				Bioorg Med Chem Lett 25: 2679-85 (2015) Article DOI: 10.1016/j.bmcl.2015.04.084 BindingDB Entry DOI: 10.7270/Q2QJ7K1S
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50094474 (CHEMBL3590220) Show SMILES CN(C)CC(=O)N1CCC(CC1)n1ccc(n1)-c1cnc(N)c(n1)-n1nnc2ccccc12 Show InChI InChI=1S/C20H23NO3/c1-21-14-12-18(13-15-21)24-19(22)20(23,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18,23H,12-15H2,1H3	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	1.70E+3	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/ATP as substrate preincubated for 20 mins followed by substrate addition measured after 80 mins b...				Bioorg Med Chem Lett 25: 2679-85 (2015) Article DOI: 10.1016/j.bmcl.2015.04.084 BindingDB Entry DOI: 10.7270/Q2QJ7K1S
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50094474 (CHEMBL3590220) Show SMILES CN(C)CC(=O)N1CCC(CC1)n1ccc(n1)-c1cnc(N)c(n1)-n1nnc2ccccc12 Show InChI InChI=1S/C20H23NO3/c1-21-14-12-18(13-15-21)24-19(22)20(23,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18,23H,12-15H2,1H3	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	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta in human MDA-MB-468 cells assessed as inhibition of Akt phosphorylation at Ser-473 after 2 hrs by ELISA				Bioorg Med Chem Lett 25: 2679-85 (2015) Article DOI: 10.1016/j.bmcl.2015.04.084 BindingDB Entry DOI: 10.7270/Q2QJ7K1S
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50094474 (CHEMBL3590220) Show SMILES CN(C)CC(=O)N1CCC(CC1)n1ccc(n1)-c1cnc(N)c(n1)-n1nnc2ccccc12 Show InChI InChI=1S/C20H23NO3/c1-21-14-12-18(13-15-21)24-19(22)20(23,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18,23H,12-15H2,1H3	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	170	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of KDR (unknown origin)				Bioorg Med Chem Lett 25: 2679-85 (2015) Article DOI: 10.1016/j.bmcl.2015.04.084 BindingDB Entry DOI: 10.7270/Q2QJ7K1S
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50094474 (CHEMBL3590220) Show SMILES CN(C)CC(=O)N1CCC(CC1)n1ccc(n1)-c1cnc(N)c(n1)-n1nnc2ccccc12 Show InChI InChI=1S/C20H23NO3/c1-21-14-12-18(13-15-21)24-19(22)20(23,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18,23H,12-15H2,1H3	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	250	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha in human BT474 cells assessed as inhibition of Akt phosphorylation at Tyr-308 after 2 hrs by ELISA				Bioorg Med Chem Lett 25: 2679-85 (2015) Article DOI: 10.1016/j.bmcl.2015.04.084 BindingDB Entry DOI: 10.7270/Q2QJ7K1S
					More data for this Ligand-Target Pair