BDBM337985 US9751854, Compound I-161::US9802960, Compound I-161

SMILES: CC(=O)Nc1cc(c(F)cn1)-c1cnc(C)c(NS(=O)(=O)c2ccc(F)cc2F)c1

InChI Key: InChIKey=CQLDUJHHYOZGIT-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 = 337985   

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))	BDBM337985 (US9751854, Compound I-161 | US9802960, Compound I-...) Show SMILES CC(=O)Nc1cc(c(F)cn1)-c1cnc(C)c(NS(=O)(=O)c2ccc(F)cc2F)c1 Show InChI InChI=1S/C19H15F3N4O3S/c1-10-17(26-30(28,29)18-4-3-13(20)6-15(18)21)5-12(8-23-10)14-7-19(25-11(2)27)24-9-16(14)22/h3-9,26H,1-2H3,(H,24,25,27)	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))	BDBM337985 (US9751854, Compound I-161 | US9802960, Compound I-...) Show SMILES CC(=O)Nc1cc(c(F)cn1)-c1cnc(C)c(NS(=O)(=O)c2ccc(F)cc2F)c1 Show InChI InChI=1S/C19H15F3N4O3S/c1-10-17(26-30(28,29)18-4-3-13(20)6-15(18)21)5-12(8-23-10)14-7-19(25-11(2)27)24-9-16(14)22/h3-9,26H,1-2H3,(H,24,25,27)	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