BDBM50245572 CHEMBL4080945

SMILES: Nc1ncnn2c(cc(Cl)c12)-c1cccc(c1)N1CCOCC1=O

InChI Key: InChIKey=NYDXFIYKDTZNFF-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 = 50245572   

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 delta isoform (Homo sapiens (Human))	BDBM50245572 (CHEMBL4080945) Show SMILES Nc1ncnn2c(cc(Cl)c12)-c1cccc(c1)N1CCOCC1=O Show InChI InChI=1S/C16H14ClN5O2/c17-12-7-13(22-15(12)16(18)19-9-20-22)10-2-1-3-11(6-10)21-4-5-24-8-14(21)23/h1-3,6-7,9H,4-5,8H2,(H2,18,19,20)	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	27	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay				Bioorg Med Chem Lett 27: 2849-2853 (2017) Article DOI: 10.1016/j.bmcl.2017.01.077 BindingDB Entry DOI: 10.7270/Q25M684R
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50245572 (CHEMBL4080945) Show SMILES Nc1ncnn2c(cc(Cl)c12)-c1cccc(c1)N1CCOCC1=O Show InChI InChI=1S/C16H14ClN5O2/c17-12-7-13(22-15(12)16(18)19-9-20-22)10-2-1-3-11(6-10)21-4-5-24-8-14(21)23/h1-3,6-7,9H,4-5,8H2,(H2,18,19,20)	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	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay				Bioorg Med Chem Lett 27: 2849-2853 (2017) Article DOI: 10.1016/j.bmcl.2017.01.077 BindingDB Entry DOI: 10.7270/Q25M684R
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50245572 (CHEMBL4080945) Show SMILES Nc1ncnn2c(cc(Cl)c12)-c1cccc(c1)N1CCOCC1=O Show InChI InChI=1S/C16H14ClN5O2/c17-12-7-13(22-15(12)16(18)19-9-20-22)10-2-1-3-11(6-10)21-4-5-24-8-14(21)23/h1-3,6-7,9H,4-5,8H2,(H2,18,19,20)	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	930	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay				Bioorg Med Chem Lett 27: 2849-2853 (2017) Article DOI: 10.1016/j.bmcl.2017.01.077 BindingDB Entry DOI: 10.7270/Q25M684R
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50245572 (CHEMBL4080945) Show SMILES Nc1ncnn2c(cc(Cl)c12)-c1cccc(c1)N1CCOCC1=O Show InChI InChI=1S/C16H14ClN5O2/c17-12-7-13(22-15(12)16(18)19-9-20-22)10-2-1-3-11(6-10)21-4-5-24-8-14(21)23/h1-3,6-7,9H,4-5,8H2,(H2,18,19,20)	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	29	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay				Bioorg Med Chem Lett 27: 2849-2853 (2017) Article DOI: 10.1016/j.bmcl.2017.01.077 BindingDB Entry DOI: 10.7270/Q25M684R
					More data for this Ligand-Target Pair