BDBM338064 US9751854, Compound I-239::US9802960, Compound I-239

SMILES: Cc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccnc(Nc2ccncn2)c1

InChI Key: InChIKey=MOSPBKUVYPCBQS-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 338064   

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 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM338064 (US9751854, Compound I-239 | US9802960, Compound I-...) Show SMILES Cc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccnc(Nc2ccncn2)c1 Show InChI InChI=1S/C21H16F2N6O2S/c1-13-18(29-32(30,31)19-3-2-16(22)10-17(19)23)8-15(11-26-13)14-4-7-25-21(9-14)28-20-5-6-24-12-27-20/h2-12,29H,1H3,(H,24,25,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description 100 nL compounds in DMSO are added to wells of a 384 well microtitre plate (Greiner 780076). At room temperature: 5 ul VPS34 reaction buffer (Invitro...				US Patent US9802960 (2017) BindingDB Entry DOI: 10.7270/Q2D79DJ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM338064 (US9751854, Compound I-239 | US9802960, Compound I-...) Show SMILES Cc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccnc(Nc2ccncn2)c1 Show InChI InChI=1S/C21H16F2N6O2S/c1-13-18(29-32(30,31)19-3-2-16(22)10-17(19)23)8-15(11-26-13)14-4-7-25-21(9-14)28-20-5-6-24-12-27-20/h2-12,29H,1H3,(H,24,25,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description 100 nL compounds in DMSO are added to wells of a 384 well microtitre plate (Greiner 780076). At room temperature: 5 ul VPS34 reaction buffer (Invitro...				US Patent US9751854 (2017) BindingDB Entry DOI: 10.7270/Q2KS6TNJ
					More data for this Ligand-Target Pair