Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 403.4 BDBM295248

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

Found 7 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 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM295248 (Rac-3-(6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)py...) Show SMILES CC(O)CNS(=O)(=O)c1ccc(C)c(c1)-c1cnc(N)c(c1)-c1nc(C)no1 Show InChI InChI=1S/C18H21N5O4S/c1-10-4-5-14(28(25,26)21-8-11(2)24)7-15(10)13-6-16(17(19)20-9-13)18-22-12(3)23-27-18/h4-7,9,11,21,24H,8H2,1-3H3,(H2,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	41	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad, Calif., USA) (Cat. No. PV5099). The kit contains t...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM295248 (Rac-3-(6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)py...) Show SMILES CC(O)CNS(=O)(=O)c1ccc(C)c(c1)-c1cnc(N)c(c1)-c1nc(C)no1 Show InChI InChI=1S/C18H21N5O4S/c1-10-4-5-14(28(25,26)21-8-11(2)24)7-15(10)13-6-16(17(19)20-9-13)18-22-12(3)23-27-18/h4-7,9,11,21,24H,8H2,1-3H3,(H2,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	140	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad, Calif., USA) (Cat. No. PV5099). The kit contains t...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha (Homo sapiens (Human))	BDBM295248 (Rac-3-(6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)py...) Show SMILES CC(O)CNS(=O)(=O)c1ccc(C)c(c1)-c1cnc(N)c(c1)-c1nc(C)no1 Show InChI InChI=1S/C18H21N5O4S/c1-10-4-5-14(28(25,26)21-8-11(2)24)7-15(10)13-6-16(17(19)20-9-13)18-22-12(3)23-27-18/h4-7,9,11,21,24H,8H2,1-3H3,(H2,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	640	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 4-kinase beta (Homo sapiens (Human))	BDBM295248 (Rac-3-(6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)py...) Show SMILES CC(O)CNS(=O)(=O)c1ccc(C)c(c1)-c1cnc(N)c(c1)-c1nc(C)no1 Show InChI InChI=1S/C18H21N5O4S/c1-10-4-5-14(28(25,26)21-8-11(2)24)7-15(10)13-6-16(17(19)20-9-13)18-22-12(3)23-27-18/h4-7,9,11,21,24H,8H2,1-3H3,(H2,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM295248 (Rac-3-(6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)py...) Show SMILES CC(O)CNS(=O)(=O)c1ccc(C)c(c1)-c1cnc(N)c(c1)-c1nc(C)no1 Show InChI InChI=1S/C18H21N5O4S/c1-10-4-5-14(28(25,26)21-8-11(2)24)7-15(10)13-6-16(17(19)20-9-13)18-22-12(3)23-27-18/h4-7,9,11,21,24H,8H2,1-3H3,(H2,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM295248 (Rac-3-(6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)py...) Show SMILES CC(O)CNS(=O)(=O)c1ccc(C)c(c1)-c1cnc(N)c(c1)-c1nc(C)no1 Show InChI InChI=1S/C18H21N5O4S/c1-10-4-5-14(28(25,26)21-8-11(2)24)7-15(10)13-6-16(17(19)20-9-13)18-22-12(3)23-27-18/h4-7,9,11,21,24H,8H2,1-3H3,(H2,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM295248 (Rac-3-(6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)py...) Show SMILES CC(O)CNS(=O)(=O)c1ccc(C)c(c1)-c1cnc(N)c(c1)-c1nc(C)no1 Show InChI InChI=1S/C18H21N5O4S/c1-10-4-5-14(28(25,26)21-8-11(2)24)7-15(10)13-6-16(17(19)20-9-13)18-22-12(3)23-27-18/h4-7,9,11,21,24H,8H2,1-3H3,(H2,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description Binding Assays are based on the binding and displacement of an Alexa Fluor 647-labeled, ATP-competitive kinase inhibitors to the kinase of interest. ...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair