Compile Data Set for Download or QSAR

Found 16 hits with Last Name = 'fontana' and Initial = 'ja'   

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
Tyrosine-protein phosphatase non-receptor type 11 [205-593] (Homo sapiens (Human))	BDBM25127 ((2E)-3-{3-chloro-4-[3-(3,3-dimethylbut-1-yn-1-yl)-...) Show SMILES CC(C)(C)C#Cc1cc(ccc1O)-c1ccc(\C=C\C(O)=O)cc1Cl Show InChI InChI=1S/C21H19ClO3/c1-21(2,3)11-10-16-13-15(6-8-19(16)23)17-7-4-14(12-18(17)22)5-9-20(24)25/h4-9,12-13,23H,1-3H3,(H,24,25)/b9-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	6.0	30
Burnham Institute for Medical Research					Assay Description The phosphatase-catalyzed hydrolysis of 6,8-difluoro-4-methylumbelliferyl phosphate was assayed in the presence of each test compound. The fluorescen...				J Med Chem 51: 5650-62 (2008) Article DOI: 10.1021/jm800456k BindingDB Entry DOI: 10.7270/Q24T6GNQ
					More data for this Ligand-Target Pair
Protein tyrosine phosphatase receptor type C-associated protein (Homo sapiens (Human))	BDBM50212333 (5-[3'-(1-adamantyl)-2-chloro-4'-hydroxy-4-biphenyl...) Show SMILES Oc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc(cc1Cl)-c1nnn[nH]1 |TLB:6:7:10:14.13.12,THB:8:9:12:16.7.15,8:7:10.9.14:12,15:7:10:14.13.12,15:13:10:16.8.7| Show InChI InChI=1S/C23H23ClN4O/c24-20-9-17(22-25-27-28-26-22)1-3-18(20)16-2-4-21(29)19(8-16)23-10-13-5-14(11-23)7-15(6-13)12-23/h1-4,8-9,13-15,29H,5-7,10-12H2,(H,25,26,27,28)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research Curated by ChEMBL					Assay Description Inhibition of CD45 PTP by fluorescence spectrometry				J Med Chem 50: 2622-39 (2007) Article DOI: 10.1021/jm0613323 BindingDB Entry DOI: 10.7270/Q2XS5V3H
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50212333 (5-[3'-(1-adamantyl)-2-chloro-4'-hydroxy-4-biphenyl...) Show SMILES Oc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc(cc1Cl)-c1nnn[nH]1 |TLB:6:7:10:14.13.12,THB:8:9:12:16.7.15,8:7:10.9.14:12,15:7:10:14.13.12,15:13:10:16.8.7| Show InChI InChI=1S/C23H23ClN4O/c24-20-9-17(22-25-27-28-26-22)1-3-18(20)16-2-4-21(29)19(8-16)23-10-13-5-14(11-23)7-15(6-13)12-23/h1-4,8-9,13-15,29H,5-7,10-12H2,(H,25,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research Curated by ChEMBL					Assay Description Inhibition of SHP2 PTP by fluorescence spectroscopy				J Med Chem 50: 2622-39 (2007) Article DOI: 10.1021/jm0613323 BindingDB Entry DOI: 10.7270/Q2XS5V3H
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 [205-593] (Homo sapiens (Human))	BDBM25124 ((2E)-3-{4-[3-(adamantan-1-yl)-4-aminophenyl]-3-chl...) Show SMILES Nc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc(\C=C\C(O)=O)cc1Cl |TLB:14:9:16:13.12.15,14:13:9.10.8:16,THB:12:11:8:13.14.15,12:13:8:11.10.16| Show InChI InChI=1S/C25H26ClNO2/c26-22-10-15(2-6-24(28)29)1-4-20(22)19-3-5-23(27)21(11-19)25-12-16-7-17(13-25)9-18(8-16)14-25/h1-6,10-11,16-18H,7-9,12-14,27H2,(H,28,29)/b6-2+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.83E+3	n/a	n/a	n/a	n/a	6.0	30
Burnham Institute for Medical Research					Assay Description The phosphatase-catalyzed hydrolysis of 6,8-difluoro-4-methylumbelliferyl phosphate was assayed in the presence of each test compound. The fluorescen...				J Med Chem 51: 5650-62 (2008) Article DOI: 10.1021/jm800456k BindingDB Entry DOI: 10.7270/Q24T6GNQ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 [205-593] (Homo sapiens (Human))	BDBM25122 ((2E)-3-{4-[3-(adamantan-1-yl)-4-hydroxyphenyl]-3-c...) Show SMILES OC(=O)\C=C\c1ccc(c(Cl)c1)-c1ccc(O)c(c1)C12CC3CC(CC(C3)C1)C2 |TLB:26:21:28:25.24.27,26:25:21.22.20:28,THB:24:23:20:25.26.27,24:25:20:23.22.28| Show InChI InChI=1S/C25H25ClO3/c26-22-10-15(2-6-24(28)29)1-4-20(22)19-3-5-23(27)21(11-19)25-12-16-7-17(13-25)9-18(8-16)14-25/h1-6,10-11,16-18,27H,7-9,12-14H2,(H,28,29)/b6-2+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	6.0	30
Burnham Institute for Medical Research					Assay Description The phosphatase-catalyzed hydrolysis of 6,8-difluoro-4-methylumbelliferyl phosphate was assayed in the presence of each test compound. The fluorescen...				J Med Chem 51: 5650-62 (2008) Article DOI: 10.1021/jm800456k BindingDB Entry DOI: 10.7270/Q24T6GNQ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 [205-593] (Homo sapiens (Human))	BDBM25125 ((2E)-3-{4-[3-(adamantan-1-yl)-4-fluorophenyl]-3-ch...) Show SMILES OC(=O)\C=C\c1ccc(c(Cl)c1)-c1ccc(F)c(c1)C12CC3CC(CC(C3)C1)C2 |TLB:26:21:28:25.24.27,26:25:21.22.20:28,THB:24:23:20:25.26.27,24:25:20:23.22.28| Show InChI InChI=1S/C25H24ClFO2/c26-22-10-15(2-6-24(28)29)1-4-20(22)19-3-5-23(27)21(11-19)25-12-16-7-17(13-25)9-18(8-16)14-25/h1-6,10-11,16-18H,7-9,12-14H2,(H,28,29)/b6-2+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.11E+3	n/a	n/a	n/a	n/a	6.0	30
Burnham Institute for Medical Research					Assay Description The phosphatase-catalyzed hydrolysis of 6,8-difluoro-4-methylumbelliferyl phosphate was assayed in the presence of each test compound. The fluorescen...				J Med Chem 51: 5650-62 (2008) Article DOI: 10.1021/jm800456k BindingDB Entry DOI: 10.7270/Q24T6GNQ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50212331 (5-[1-(3'-adamantan-1-yl-2-chloro-4'-hydroxy-biphen...) Show SMILES OC1=NC(=O)C(S1)=Cc1ccc(c(Cl)c1)-c1ccc(O)c(c1)C12CC3CC(CC(C3)C1)C2 |w:7.8,t:1,TLB:20:22:25:29.28.27,THB:23:24:27:31.22.30,23:22:25.24.29:27,30:22:25:29.28.27,30:28:25:31.23.22| Show InChI InChI=1S/C26H24ClNO3S/c27-21-8-14(9-23-24(30)28-25(31)32-23)1-3-19(21)18-2-4-22(29)20(10-18)26-11-15-5-16(12-26)7-17(6-15)13-26/h1-4,8-10,15-17,29H,5-7,11-13H2,(H,28,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research Curated by ChEMBL					Assay Description Inhibition of SHP2 PTP by fluorescence spectroscopy				J Med Chem 50: 2622-39 (2007) Article DOI: 10.1021/jm0613323 BindingDB Entry DOI: 10.7270/Q2XS5V3H
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 [205-593] (Homo sapiens (Human))	BDBM25131 ((2E)-3-{3-chloro-4-[3-(3,5-dimethyladamantan-1-yl)...) Show SMILES CC12CC3CC(C)(C1)CC(C3)(C2)c1cc(ccc1O)-c1ccc(\C=C\C(O)=O)cc1Cl |TLB:4:3:11:7.8.5,4:5:11:3.2.10,THB:2:1:8:3.4.10,2:3:1.7.11:8| Show InChI InChI=1S/C27H29ClO3/c1-25-11-18-12-26(2,14-25)16-27(13-18,15-25)21-10-19(5-7-23(21)29)20-6-3-17(9-22(20)28)4-8-24(30)31/h3-10,18,29H,11-16H2,1-2H3,(H,30,31)/b8-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.27E+3	n/a	n/a	n/a	n/a	6.0	30
Burnham Institute for Medical Research					Assay Description The phosphatase-catalyzed hydrolysis of 6,8-difluoro-4-methylumbelliferyl phosphate was assayed in the presence of each test compound. The fluorescen...				J Med Chem 51: 5650-62 (2008) Article DOI: 10.1021/jm800456k BindingDB Entry DOI: 10.7270/Q24T6GNQ
					More data for this Ligand-Target Pair
Protein tyrosine phosphatase receptor type C-associated protein (Homo sapiens (Human))	BDBM50212331 (5-[1-(3'-adamantan-1-yl-2-chloro-4'-hydroxy-biphen...) Show SMILES OC1=NC(=O)C(S1)=Cc1ccc(c(Cl)c1)-c1ccc(O)c(c1)C12CC3CC(CC(C3)C1)C2 |w:7.8,t:1,TLB:20:22:25:29.28.27,THB:23:24:27:31.22.30,23:22:25.24.29:27,30:22:25:29.28.27,30:28:25:31.23.22| Show InChI InChI=1S/C26H24ClNO3S/c27-21-8-14(9-23-24(30)28-25(31)32-23)1-3-19(21)18-2-4-22(29)20(10-18)26-11-15-5-16(12-26)7-17(6-15)13-26/h1-4,8-10,15-17,29H,5-7,11-13H2,(H,28,30,31)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research Curated by ChEMBL					Assay Description Inhibition of CD45 PTP by fluorescence spectrometry				J Med Chem 50: 2622-39 (2007) Article DOI: 10.1021/jm0613323 BindingDB Entry DOI: 10.7270/Q2XS5V3H
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 [205-593] (Homo sapiens (Human))	BDBM25129 ((2E)-3-[3-chloro-4-(4-hydroxy-3-{tricyclo[3.3.1.0^...) Show SMILES OC(=O)\C=C\c1ccc(c(Cl)c1)-c1ccc(O)c(c1)C12CC3CC1CC(C2)C3 |THB:24:23:20:25.27.26,24:25:23.22:20| Show InChI InChI=1S/C24H23ClO3/c25-21-10-14(2-6-23(27)28)1-4-19(21)17-3-5-22(26)20(11-17)24-12-15-7-16(13-24)9-18(24)8-15/h1-6,10-11,15-16,18,26H,7-9,12-13H2,(H,27,28)/b6-2+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.91E+3	n/a	n/a	n/a	n/a	6.0	30
Burnham Institute for Medical Research					Assay Description The phosphatase-catalyzed hydrolysis of 6,8-difluoro-4-methylumbelliferyl phosphate was assayed in the presence of each test compound. The fluorescen...				J Med Chem 51: 5650-62 (2008) Article DOI: 10.1021/jm800456k BindingDB Entry DOI: 10.7270/Q24T6GNQ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 [205-593] (Homo sapiens (Human))	BDBM25123 ((2E)-3-{4-[3-(adamantan-1-yl)-4-acetamidophenyl]-3...) Show SMILES CC(=O)Nc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc(\C=C\C(O)=O)cc1Cl |TLB:17:12:19:16.15.18,17:16:12.13.11:19,THB:15:14:11:16.17.18,15:16:11:14.13.19| Show InChI InChI=1S/C27H28ClNO3/c1-16(30)29-25-6-4-21(22-5-2-17(11-24(22)28)3-7-26(31)32)12-23(25)27-13-18-8-19(14-27)10-20(9-18)15-27/h2-7,11-12,18-20H,8-10,13-15H2,1H3,(H,29,30)(H,31,32)/b7-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.55E+3	n/a	n/a	n/a	n/a	6.0	30
Burnham Institute for Medical Research					Assay Description The phosphatase-catalyzed hydrolysis of 6,8-difluoro-4-methylumbelliferyl phosphate was assayed in the presence of each test compound. The fluorescen...				J Med Chem 51: 5650-62 (2008) Article DOI: 10.1021/jm800456k BindingDB Entry DOI: 10.7270/Q24T6GNQ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 [205-593] (Homo sapiens (Human))	BDBM25133 ((2E)-3-{3-chloro-4-[3-(3-ethylpentan-3-yl)-4-hydro...) Show SMILES CCC(CC)(CC)c1cc(ccc1O)-c1ccc(\C=C\C(O)=O)cc1Cl Show InChI InChI=1S/C22H25ClO3/c1-4-22(5-2,6-3)18-14-16(9-11-20(18)24)17-10-7-15(13-19(17)23)8-12-21(25)26/h7-14,24H,4-6H2,1-3H3,(H,25,26)/b12-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.37E+3	n/a	n/a	n/a	n/a	6.0	30
Burnham Institute for Medical Research					Assay Description The phosphatase-catalyzed hydrolysis of 6,8-difluoro-4-methylumbelliferyl phosphate was assayed in the presence of each test compound. The fluorescen...				J Med Chem 51: 5650-62 (2008) Article DOI: 10.1021/jm800456k BindingDB Entry DOI: 10.7270/Q24T6GNQ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 [205-593] (Homo sapiens (Human))	BDBM25130 ((2E)-3-{3-chloro-4-[4-hydroxy-3-(1-methylcyclohexy...) Show SMILES CC1(CCCCC1)c1cc(ccc1O)-c1ccc(\C=C\C(O)=O)cc1Cl Show InChI InChI=1S/C22H23ClO3/c1-22(11-3-2-4-12-22)18-14-16(7-9-20(18)24)17-8-5-15(13-19(17)23)6-10-21(25)26/h5-10,13-14,24H,2-4,11-12H2,1H3,(H,25,26)/b10-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	6.0	30
Burnham Institute for Medical Research					Assay Description The phosphatase-catalyzed hydrolysis of 6,8-difluoro-4-methylumbelliferyl phosphate was assayed in the presence of each test compound. The fluorescen...				J Med Chem 51: 5650-62 (2008) Article DOI: 10.1021/jm800456k BindingDB Entry DOI: 10.7270/Q24T6GNQ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 [205-593] (Homo sapiens (Human))	BDBM25132 ((2E)-3-{3-chloro-4-[4-hydroxy-3-(2-methyl-1,3-dith...) Show SMILES CC1(SCCCS1)c1cc(ccc1O)-c1ccc(\C=C\C(O)=O)cc1Cl Show InChI InChI=1S/C20H19ClO3S2/c1-20(25-9-2-10-26-20)16-12-14(5-7-18(16)22)15-6-3-13(11-17(15)21)4-8-19(23)24/h3-8,11-12,22H,2,9-10H2,1H3,(H,23,24)/b8-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.02E+4	n/a	n/a	n/a	n/a	6.0	30
Burnham Institute for Medical Research					Assay Description The phosphatase-catalyzed hydrolysis of 6,8-difluoro-4-methylumbelliferyl phosphate was assayed in the presence of each test compound. The fluorescen...				J Med Chem 51: 5650-62 (2008) Article DOI: 10.1021/jm800456k BindingDB Entry DOI: 10.7270/Q24T6GNQ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 [205-593] (Homo sapiens (Human))	BDBM25128 ((2E)-3-{3-chloro-4-[3-(2,6-dimethylphenyl)-4-hydro...) Show SMILES Cc1cccc(C)c1-c1cc(ccc1O)-c1ccc(\C=C\C(O)=O)cc1Cl |(-4.83,6.88,;-6.17,6.11,;-7.5,6.88,;-8.83,6.11,;-8.83,4.57,;-7.5,3.8,;-7.5,2.26,;-6.17,4.57,;-4.83,3.8,;-3.5,4.57,;-2.17,3.8,;-2.17,2.26,;-3.5,1.49,;-4.83,2.26,;-5.6,.93,;-.83,4.57,;-.83,6.11,;.5,6.88,;1.83,6.11,;3.17,6.88,;4.5,6.11,;5.84,6.88,;7.17,6.11,;5.84,8.42,;1.83,4.57,;.5,3.8,;.5,2.26,)| Show InChI InChI=1S/C23H19ClO3/c1-14-4-3-5-15(2)23(14)19-13-17(8-10-21(19)25)18-9-6-16(12-20(18)24)7-11-22(26)27/h3-13,25H,1-2H3,(H,26,27)/b11-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.99E+4	n/a	n/a	n/a	n/a	6.0	30
Burnham Institute for Medical Research					Assay Description The phosphatase-catalyzed hydrolysis of 6,8-difluoro-4-methylumbelliferyl phosphate was assayed in the presence of each test compound. The fluorescen...				J Med Chem 51: 5650-62 (2008) Article DOI: 10.1021/jm800456k BindingDB Entry DOI: 10.7270/Q24T6GNQ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 [205-593] (Homo sapiens (Human))	BDBM25126 ((2E)-3-[3-chloro-4-(4-fluorophenyl)phenyl]prop-2-e...) Show SMILES OC(=O)\C=C\c1ccc(c(Cl)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C15H10ClFO2/c16-14-9-10(2-8-15(18)19)1-7-13(14)11-3-5-12(17)6-4-11/h1-9H,(H,18,19)/b8-2+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+5	n/a	n/a	n/a	n/a	6.0	30
Burnham Institute for Medical Research					Assay Description The phosphatase-catalyzed hydrolysis of 6,8-difluoro-4-methylumbelliferyl phosphate was assayed in the presence of each test compound. The fluorescen...				J Med Chem 51: 5650-62 (2008) Article DOI: 10.1021/jm800456k BindingDB Entry DOI: 10.7270/Q24T6GNQ
					More data for this Ligand-Target Pair