Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 327.3 BDBM337844

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM337844 (US9751854, Compound I-27 | US9802960, Compound I-2...) Show SMILES CCN(CC)C(=O)c1cc(cnc1N)-c1ccnc(NC(C)=O)c1 Show InChI InChI=1S/C17H21N5O2/c1-4-22(5-2)17(24)14-8-13(10-20-16(14)18)12-6-7-19-15(9-12)21-11(3)23/h6-10H,4-5H2,1-3H3,(H2,18,20)(H,19,21,23)	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))	BDBM337844 (US9751854, Compound I-27 | US9802960, Compound I-2...) Show SMILES CCN(CC)C(=O)c1cc(cnc1N)-c1ccnc(NC(C)=O)c1 Show InChI InChI=1S/C17H21N5O2/c1-4-22(5-2)17(24)14-8-13(10-20-16(14)18)12-6-7-19-15(9-12)21-11(3)23/h6-10H,4-5H2,1-3H3,(H2,18,20)(H,19,21,23)	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