BDBM50392453 CHEMBL2151923

SMILES: Brc1cccc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)c1

InChI Key: InChIKey=NPBHHSSAUGKQQZ-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50392453   

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
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50392453 (CHEMBL2151923) Show SMILES Brc1cccc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)c1 Show InChI InChI=1S/C16H17BrN4O3/c17-11-2-1-3-12(8-11)18-15(22)9-13-19-14(10-16(23)20-13)21-4-6-24-7-5-21/h1-3,8,10H,4-7,9H2,(H,18,22)(H,19,20,23)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	37
Sanofi US Patent					Assay Description This test is based on measuring the expression of the AKT protein phosphorylated on serine 473. The phosphorylation of AKT (pAKT) is measured by west...				US Patent US8993565 (2015) BindingDB Entry DOI: 10.7270/Q2FQ9V9P
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50392453 (CHEMBL2151923) Show SMILES Brc1cccc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)c1 Show InChI InChI=1S/C16H17BrN4O3/c17-11-2-1-3-12(8-11)18-15(22)9-13-19-14(10-16(23)20-13)21-4-6-24-7-5-21/h1-3,8,10H,4-7,9H2,(H,18,22)(H,19,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.91E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha				Bioorg Med Chem Lett 22: 6381-4 (2012) Article DOI: 10.1016/j.bmcl.2012.08.072 BindingDB Entry DOI: 10.7270/Q2FN179H
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50392453 (CHEMBL2151923) Show SMILES Brc1cccc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)c1 Show InChI InChI=1S/C16H17BrN4O3/c17-11-2-1-3-12(8-11)18-15(22)9-13-19-14(10-16(23)20-13)21-4-6-24-7-5-21/h1-3,8,10H,4-7,9H2,(H,18,22)(H,19,20,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4				Bioorg Med Chem Lett 22: 6381-4 (2012) Article DOI: 10.1016/j.bmcl.2012.08.072 BindingDB Entry DOI: 10.7270/Q2FN179H
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50392453 (CHEMBL2151923) Show SMILES Brc1cccc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)c1 Show InChI InChI=1S/C16H17BrN4O3/c17-11-2-1-3-12(8-11)18-15(22)9-13-19-14(10-16(23)20-13)21-4-6-24-7-5-21/h1-3,8,10H,4-7,9H2,(H,18,22)(H,19,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	189	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta				Bioorg Med Chem Lett 22: 6381-4 (2012) Article DOI: 10.1016/j.bmcl.2012.08.072 BindingDB Entry DOI: 10.7270/Q2FN179H
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50392453 (CHEMBL2151923) Show SMILES Brc1cccc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)c1 Show InChI InChI=1S/C16H17BrN4O3/c17-11-2-1-3-12(8-11)18-15(22)9-13-19-14(10-16(23)20-13)21-4-6-24-7-5-21/h1-3,8,10H,4-7,9H2,(H,18,22)(H,19,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma				Bioorg Med Chem Lett 22: 6381-4 (2012) Article DOI: 10.1016/j.bmcl.2012.08.072 BindingDB Entry DOI: 10.7270/Q2FN179H
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50392453 (CHEMBL2151923) Show SMILES Brc1cccc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)c1 Show InChI InChI=1S/C16H17BrN4O3/c17-11-2-1-3-12(8-11)18-15(22)9-13-19-14(10-16(23)20-13)21-4-6-24-7-5-21/h1-3,8,10H,4-7,9H2,(H,18,22)(H,19,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta				Bioorg Med Chem Lett 22: 6381-4 (2012) Article DOI: 10.1016/j.bmcl.2012.08.072 BindingDB Entry DOI: 10.7270/Q2FN179H
					More data for this Ligand-Target Pair