BDBM50365862 CHEMBL1957853

SMILES: Clc1ccc(Cn2ccn3c2nc(cc3=O)N2CCOCC2)cc1Cl

InChI Key: InChIKey=WUDSDJMJLCBDLN-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 = 50365862   

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))	BDBM50365862 (CHEMBL1957853) Show SMILES Clc1ccc(Cn2ccn3c2nc(cc3=O)N2CCOCC2)cc1Cl Show InChI InChI=1S/C17H16Cl2N4O2/c18-13-2-1-12(9-14(13)19)11-22-3-4-23-16(24)10-15(20-17(22)23)21-5-7-25-8-6-21/h1-4,9-10H,5-8,11H2	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	32	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta by time-resolved FRET displacement assay				Bioorg Med Chem Lett 22: 2230-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.092 BindingDB Entry DOI: 10.7270/Q2GH9JF0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50365862 (CHEMBL1957853) Show SMILES Clc1ccc(Cn2ccn3c2nc(cc3=O)N2CCOCC2)cc1Cl Show InChI InChI=1S/C17H16Cl2N4O2/c18-13-2-1-12(9-14(13)19)11-22-3-4-23-16(24)10-15(20-17(22)23)21-5-7-25-8-6-21/h1-4,9-10H,5-8,11H2	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	>1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha by time-resolved FRET displacement assay				Bioorg Med Chem Lett 22: 2230-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.092 BindingDB Entry DOI: 10.7270/Q2GH9JF0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50365862 (CHEMBL1957853) Show SMILES Clc1ccc(Cn2ccn3c2nc(cc3=O)N2CCOCC2)cc1Cl Show InChI InChI=1S/C17H16Cl2N4O2/c18-13-2-1-12(9-14(13)19)11-22-3-4-23-16(24)10-15(20-17(22)23)21-5-7-25-8-6-21/h1-4,9-10H,5-8,11H2	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	>6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma by time-resolved FRET displacement assay				Bioorg Med Chem Lett 22: 2230-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.092 BindingDB Entry DOI: 10.7270/Q2GH9JF0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50365862 (CHEMBL1957853) Show SMILES Clc1ccc(Cn2ccn3c2nc(cc3=O)N2CCOCC2)cc1Cl Show InChI InChI=1S/C17H16Cl2N4O2/c18-13-2-1-12(9-14(13)19)11-22-3-4-23-16(24)10-15(20-17(22)23)21-5-7-25-8-6-21/h1-4,9-10H,5-8,11H2	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	63	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta by time-resolved FRET displacement assay				Bioorg Med Chem Lett 22: 2230-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.092 BindingDB Entry DOI: 10.7270/Q2GH9JF0
					More data for this Ligand-Target Pair