BDBM50240356 CHEMBL4094970

SMILES: Nc1ncc(cn1)-c1cn2c3CCN(Cc3nc2c(n1)N1CCOCC1)C(=O)c1ccc(F)cc1

InChI Key: InChIKey=IWVNGHIFTPGMQQ-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 = 50240356   

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))	BDBM50240356 (CHEMBL4094970) Show SMILES Nc1ncc(cn1)-c1cn2c3CCN(Cc3nc2c(n1)N1CCOCC1)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C24H23FN8O2/c25-17-3-1-15(2-4-17)23(34)32-6-5-20-19(13-32)30-22-21(31-7-9-35-10-8-31)29-18(14-33(20)22)16-11-27-24(26)28-12-16/h1-4,11-12,14H,5-10,13H2,(H2,26,27,28)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30	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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