Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 426.5 BDBM338283

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))	BDBM338283 (US9751854, Compound I-468 | US9802960, Compound I-...) Show SMILES CC(=O)Nc1cc(ccn1)-c1cncc(c1)S(=O)(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:19:20:23:26.27.25,27:26:29:23.22.21,27:22:29:26.28.25,THB:28:26:23:29.20.21,28:20:23:26.27.25| Show InChI InChI=1S/C22H26N4O3S/c1-14(27)25-21-8-18(2-3-24-21)19-7-20(13-23-12-19)30(28,29)26-22-9-15-4-16(10-22)6-17(5-15)11-22/h2-3,7-8,12-13,15-17,26H,4-6,9-11H2,1H3,(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	30	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))	BDBM338283 (US9751854, Compound I-468 | US9802960, Compound I-...) Show SMILES CC(=O)Nc1cc(ccn1)-c1cncc(c1)S(=O)(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:19:20:23:26.27.25,27:26:29:23.22.21,27:22:29:26.28.25,THB:28:26:23:29.20.21,28:20:23:26.27.25| Show InChI InChI=1S/C22H26N4O3S/c1-14(27)25-21-8-18(2-3-24-21)19-7-20(13-23-12-19)30(28,29)26-22-9-15-4-16(10-22)6-17(5-15)11-22/h2-3,7-8,12-13,15-17,26H,4-6,9-11H2,1H3,(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	30	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