BDBM50240357 CHEMBL4064833

SMILES: COCCNC(=O)N1CCc2c(C1)nc1c(nc(cn21)-c1cnc(N)nc1)N1CCOCC1

InChI Key: InChIKey=QLUOOBGCXBFVHJ-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50240357   

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
p110α/p85α (Homo sapiens (Human))	BDBM50240357 (CHEMBL4064833) Show SMILES COCCNC(=O)N1CCc2c(C1)nc1c(nc(cn21)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C21H27N9O3/c1-32-7-3-23-21(31)29-4-2-17-16(12-29)27-19-18(28-5-8-33-9-6-28)26-15(13-30(17)19)14-10-24-20(22)25-11-14/h10-11,13H,2-9,12H2,1H3,(H,23,31)(H2,22,24,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of full-length human p110alpha (1 to 1068 end residues)/N-terminal GST-tagged p85alpha (1 to 724 end residues) expressed in baculovirus ex...				Bioorg Med Chem Lett 27: 2536-2543 (2017) Article DOI: 10.1016/j.bmcl.2017.03.090 BindingDB Entry DOI: 10.7270/Q2N87CZ1
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