BDBM295114 3-(6-Amino-5-(3-methylisoxazol-5-yl)pyridin-3-yl)-N-((4-(hydroxymethyl)tetrahydro-2H-pyran-4-yl)methyl)-4-methylbenzenesulfonamide::US10112926, Example 37.1

SMILES: Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(CO)CCOCC1

InChI Key: InChIKey=JNLDJIWAENALOH-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 295114   

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
PI3-kinase class I (Homo sapiens (Human))	BDBM295114 (3-(6-Amino-5-(3-methylisoxazol-5-yl)pyridin-3-yl)-...) Show SMILES Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(CO)CCOCC1 Show InChI InChI=1S/C23H28N4O5S/c1-15-3-4-18(33(29,30)26-13-23(14-28)5-7-31-8-6-23)11-19(15)17-10-20(22(24)25-12-17)21-9-16(2)27-32-21/h3-4,9-12,26,28H,5-8,13-14H2,1-2H3,(H2,24,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	340	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))	BDBM295114 (3-(6-Amino-5-(3-methylisoxazol-5-yl)pyridin-3-yl)-...) Show SMILES Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(CO)CCOCC1 Show InChI InChI=1S/C23H28N4O5S/c1-15-3-4-18(33(29,30)26-13-23(14-28)5-7-31-8-6-23)11-19(15)17-10-20(22(24)25-12-17)21-9-16(2)27-32-21/h3-4,9-12,26,28H,5-8,13-14H2,1-2H3,(H2,24,25)	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	5.50E+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))	BDBM295114 (3-(6-Amino-5-(3-methylisoxazol-5-yl)pyridin-3-yl)-...) Show SMILES Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(CO)CCOCC1 Show InChI InChI=1S/C23H28N4O5S/c1-15-3-4-18(33(29,30)26-13-23(14-28)5-7-31-8-6-23)11-19(15)17-10-20(22(24)25-12-17)21-9-16(2)27-32-21/h3-4,9-12,26,28H,5-8,13-14H2,1-2H3,(H2,24,25)	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))	BDBM295114 (3-(6-Amino-5-(3-methylisoxazol-5-yl)pyridin-3-yl)-...) Show SMILES Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(CO)CCOCC1 Show InChI InChI=1S/C23H28N4O5S/c1-15-3-4-18(33(29,30)26-13-23(14-28)5-7-31-8-6-23)11-19(15)17-10-20(22(24)25-12-17)21-9-16(2)27-32-21/h3-4,9-12,26,28H,5-8,13-14H2,1-2H3,(H2,24,25)	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	8.80E+3	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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM295114 (3-(6-Amino-5-(3-methylisoxazol-5-yl)pyridin-3-yl)-...) Show SMILES Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(CO)CCOCC1 Show InChI InChI=1S/C23H28N4O5S/c1-15-3-4-18(33(29,30)26-13-23(14-28)5-7-31-8-6-23)11-19(15)17-10-20(22(24)25-12-17)21-9-16(2)27-32-21/h3-4,9-12,26,28H,5-8,13-14H2,1-2H3,(H2,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	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))	BDBM295114 (3-(6-Amino-5-(3-methylisoxazol-5-yl)pyridin-3-yl)-...) Show SMILES Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(CO)CCOCC1 Show InChI InChI=1S/C23H28N4O5S/c1-15-3-4-18(33(29,30)26-13-23(14-28)5-7-31-8-6-23)11-19(15)17-10-20(22(24)25-12-17)21-9-16(2)27-32-21/h3-4,9-12,26,28H,5-8,13-14H2,1-2H3,(H2,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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 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-kinase beta (Homo sapiens (Human))	BDBM295114 (3-(6-Amino-5-(3-methylisoxazol-5-yl)pyridin-3-yl)-...) Show SMILES Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(CO)CCOCC1 Show InChI InChI=1S/C23H28N4O5S/c1-15-3-4-18(33(29,30)26-13-23(14-28)5-7-31-8-6-23)11-19(15)17-10-20(22(24)25-12-17)21-9-16(2)27-32-21/h3-4,9-12,26,28H,5-8,13-14H2,1-2H3,(H2,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.50E+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