BDBM50240344 CHEMBL4097506

SMILES: CC1(C)Cc2nc3c(nc(cn3c2C(=O)C1)-c1cnc(N)nc1)N1CCOCC1

InChI Key: InChIKey=ZHFMRGDEVWLIAE-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50240344   

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))	BDBM50240344 (CHEMBL4097506) Show SMILES CC1(C)Cc2nc3c(nc(cn3c2C(=O)C1)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C20H23N7O2/c1-20(2)7-13-16(15(28)8-20)27-11-14(12-9-22-19(21)23-10-12)25-17(18(27)24-13)26-3-5-29-6-4-26/h9-11H,3-8H2,1-2H3,(H2,21,22,23)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	195	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
					More data for this Ligand-Target Pair