BDBM295058 US10112926, Example 12::trans 3-[6-Amino-5-(3-methyl-[1,2,4]oxadiazol-5-yl)-pyridin-3-yl]-N-(4-hydroxy-cyclohexyl)-4-methyl-benzenesulfonamide, hydrochloride salt

SMILES: Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](O)CC1

InChI Key: InChIKey=XFGGNFBJRMXYAG-WKILWMFISA-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 = 295058   

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))	BDBM295058 (US10112926, Example 12 | trans 3-[6-Amino-5-(3-met...) Show SMILES Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:24.26,wD:27.30,(7.05,-.65,;6.28,.68,;7.19,1.93,;6.28,3.17,;4.82,2.69,;4.82,1.15,;3.48,3.47,;2.15,2.69,;.82,3.47,;.82,5,;2.15,5.78,;3.48,5,;4.82,5.78,;-.52,2.69,;-.52,1.15,;-1.85,.38,;-3.19,1.15,;-3.19,2.69,;-1.85,3.47,;-1.85,5,;-1.85,-1.15,;-.31,-1.15,;-3.39,-1.15,;-1.85,-2.69,;-3.19,-3.47,;-3.19,-5,;-4.52,-5.78,;-5.85,-5,;-7.19,-5.78,;-5.85,-3.47,;-4.52,-2.69,)| Show InChI InChI=1S/C21H25N5O4S/c1-12-3-8-17(31(28,29)26-15-4-6-16(27)7-5-15)10-18(12)14-9-19(20(22)23-11-14)21-24-13(2)25-30-21/h3,8-11,15-16,26-27H,4-7H2,1-2H3,(H2,22,23)/t15-,16-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	160	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))	BDBM295058 (US10112926, Example 12 | trans 3-[6-Amino-5-(3-met...) Show SMILES Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:24.26,wD:27.30,(7.05,-.65,;6.28,.68,;7.19,1.93,;6.28,3.17,;4.82,2.69,;4.82,1.15,;3.48,3.47,;2.15,2.69,;.82,3.47,;.82,5,;2.15,5.78,;3.48,5,;4.82,5.78,;-.52,2.69,;-.52,1.15,;-1.85,.38,;-3.19,1.15,;-3.19,2.69,;-1.85,3.47,;-1.85,5,;-1.85,-1.15,;-.31,-1.15,;-3.39,-1.15,;-1.85,-2.69,;-3.19,-3.47,;-3.19,-5,;-4.52,-5.78,;-5.85,-5,;-7.19,-5.78,;-5.85,-3.47,;-4.52,-2.69,)| Show InChI InChI=1S/C21H25N5O4S/c1-12-3-8-17(31(28,29)26-15-4-6-16(27)7-5-15)10-18(12)14-9-19(20(22)23-11-14)21-24-13(2)25-30-21/h3,8-11,15-16,26-27H,4-7H2,1-2H3,(H2,22,23)/t15-,16-	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	230	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))	BDBM295058 (US10112926, Example 12 | trans 3-[6-Amino-5-(3-met...) Show SMILES Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:24.26,wD:27.30,(7.05,-.65,;6.28,.68,;7.19,1.93,;6.28,3.17,;4.82,2.69,;4.82,1.15,;3.48,3.47,;2.15,2.69,;.82,3.47,;.82,5,;2.15,5.78,;3.48,5,;4.82,5.78,;-.52,2.69,;-.52,1.15,;-1.85,.38,;-3.19,1.15,;-3.19,2.69,;-1.85,3.47,;-1.85,5,;-1.85,-1.15,;-.31,-1.15,;-3.39,-1.15,;-1.85,-2.69,;-3.19,-3.47,;-3.19,-5,;-4.52,-5.78,;-5.85,-5,;-7.19,-5.78,;-5.85,-3.47,;-4.52,-2.69,)| Show InChI InChI=1S/C21H25N5O4S/c1-12-3-8-17(31(28,29)26-15-4-6-16(27)7-5-15)10-18(12)14-9-19(20(22)23-11-14)21-24-13(2)25-30-21/h3,8-11,15-16,26-27H,4-7H2,1-2H3,(H2,22,23)/t15-,16-	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))	BDBM295058 (US10112926, Example 12 | trans 3-[6-Amino-5-(3-met...) Show SMILES Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:24.26,wD:27.30,(7.05,-.65,;6.28,.68,;7.19,1.93,;6.28,3.17,;4.82,2.69,;4.82,1.15,;3.48,3.47,;2.15,2.69,;.82,3.47,;.82,5,;2.15,5.78,;3.48,5,;4.82,5.78,;-.52,2.69,;-.52,1.15,;-1.85,.38,;-3.19,1.15,;-3.19,2.69,;-1.85,3.47,;-1.85,5,;-1.85,-1.15,;-.31,-1.15,;-3.39,-1.15,;-1.85,-2.69,;-3.19,-3.47,;-3.19,-5,;-4.52,-5.78,;-5.85,-5,;-7.19,-5.78,;-5.85,-3.47,;-4.52,-2.69,)| Show InChI InChI=1S/C21H25N5O4S/c1-12-3-8-17(31(28,29)26-15-4-6-16(27)7-5-15)10-18(12)14-9-19(20(22)23-11-14)21-24-13(2)25-30-21/h3,8-11,15-16,26-27H,4-7H2,1-2H3,(H2,22,23)/t15-,16-	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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM295058 (US10112926, Example 12 | trans 3-[6-Amino-5-(3-met...) Show SMILES Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:24.26,wD:27.30,(7.05,-.65,;6.28,.68,;7.19,1.93,;6.28,3.17,;4.82,2.69,;4.82,1.15,;3.48,3.47,;2.15,2.69,;.82,3.47,;.82,5,;2.15,5.78,;3.48,5,;4.82,5.78,;-.52,2.69,;-.52,1.15,;-1.85,.38,;-3.19,1.15,;-3.19,2.69,;-1.85,3.47,;-1.85,5,;-1.85,-1.15,;-.31,-1.15,;-3.39,-1.15,;-1.85,-2.69,;-3.19,-3.47,;-3.19,-5,;-4.52,-5.78,;-5.85,-5,;-7.19,-5.78,;-5.85,-3.47,;-4.52,-2.69,)| Show InChI InChI=1S/C21H25N5O4S/c1-12-3-8-17(31(28,29)26-15-4-6-16(27)7-5-15)10-18(12)14-9-19(20(22)23-11-14)21-24-13(2)25-30-21/h3,8-11,15-16,26-27H,4-7H2,1-2H3,(H2,22,23)/t15-,16-	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	8	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))	BDBM295058 (US10112926, Example 12 | trans 3-[6-Amino-5-(3-met...) Show SMILES Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:24.26,wD:27.30,(7.05,-.65,;6.28,.68,;7.19,1.93,;6.28,3.17,;4.82,2.69,;4.82,1.15,;3.48,3.47,;2.15,2.69,;.82,3.47,;.82,5,;2.15,5.78,;3.48,5,;4.82,5.78,;-.52,2.69,;-.52,1.15,;-1.85,.38,;-3.19,1.15,;-3.19,2.69,;-1.85,3.47,;-1.85,5,;-1.85,-1.15,;-.31,-1.15,;-3.39,-1.15,;-1.85,-2.69,;-3.19,-3.47,;-3.19,-5,;-4.52,-5.78,;-5.85,-5,;-7.19,-5.78,;-5.85,-3.47,;-4.52,-2.69,)| Show InChI InChI=1S/C21H25N5O4S/c1-12-3-8-17(31(28,29)26-15-4-6-16(27)7-5-15)10-18(12)14-9-19(20(22)23-11-14)21-24-13(2)25-30-21/h3,8-11,15-16,26-27H,4-7H2,1-2H3,(H2,22,23)/t15-,16-	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	270	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))	BDBM295058 (US10112926, Example 12 | trans 3-[6-Amino-5-(3-met...) Show SMILES Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:24.26,wD:27.30,(7.05,-.65,;6.28,.68,;7.19,1.93,;6.28,3.17,;4.82,2.69,;4.82,1.15,;3.48,3.47,;2.15,2.69,;.82,3.47,;.82,5,;2.15,5.78,;3.48,5,;4.82,5.78,;-.52,2.69,;-.52,1.15,;-1.85,.38,;-3.19,1.15,;-3.19,2.69,;-1.85,3.47,;-1.85,5,;-1.85,-1.15,;-.31,-1.15,;-3.39,-1.15,;-1.85,-2.69,;-3.19,-3.47,;-3.19,-5,;-4.52,-5.78,;-5.85,-5,;-7.19,-5.78,;-5.85,-3.47,;-4.52,-2.69,)| Show InChI InChI=1S/C21H25N5O4S/c1-12-3-8-17(31(28,29)26-15-4-6-16(27)7-5-15)10-18(12)14-9-19(20(22)23-11-14)21-24-13(2)25-30-21/h3,8-11,15-16,26-27H,4-7H2,1-2H3,(H2,22,23)/t15-,16-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30E+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