Compile Data Set for Download or QSAR

Found 31 hits Enz. Inhib. hit(s) with all data for entry = 1806   

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 1 [1-298] (Homo sapiens (Human))	BDBM14239 (5-(carboxymethoxy)-10-{[1-(phenylmethane)sulfonylp...) Show SMILES OC(=O)COc1c(sc2c1sc1cc(NC3CCN(CC3)S(=O)(=O)Cc3ccccc3)ccc21)C(O)=O Show InChI InChI=1S/C25H24N2O7S3/c28-20(29)13-34-21-23-22(36-24(21)25(30)31)18-7-6-17(12-19(18)35-23)26-16-8-10-27(11-9-16)37(32,33)14-15-4-2-1-3-5-15/h1-7,12,16,26H,8-11,13-14H2,(H,28,29)(H,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	370	-36.7	n/a	n/a	n/a	n/a	n/a	n/a	25
Wyeth Research					Assay Description The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...				Bioorg Med Chem 14: 2162-77 (2006) Article DOI: 10.1016/j.bmc.2005.11.005 BindingDB Entry DOI: 10.7270/Q289143K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human))	BDBM14239 (5-(carboxymethoxy)-10-{[1-(phenylmethane)sulfonylp...) Show SMILES OC(=O)COc1c(sc2c1sc1cc(NC3CCN(CC3)S(=O)(=O)Cc3ccccc3)ccc21)C(O)=O Show InChI InChI=1S/C25H24N2O7S3/c28-20(29)13-34-21-23-22(36-24(21)25(30)31)18-7-6-17(12-19(18)35-23)26-16-8-10-27(11-9-16)37(32,33)14-15-4-2-1-3-5-15/h1-7,12,16,26H,8-11,13-14H2,(H,28,29)(H,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	380	-36.6	n/a	n/a	n/a	n/a	n/a	n/a	25
Wyeth Research					Assay Description The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...				Bioorg Med Chem 14: 2162-77 (2006) Article DOI: 10.1016/j.bmc.2005.11.005 BindingDB Entry DOI: 10.7270/Q289143K
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM14234 (5-(carboxymethoxy)-10-[(cyclohexylmethyl)amino]-3,...) Show SMILES OC(=O)COc1c(sc2c1sc1cc(NCC3CCCCC3)ccc21)C(O)=O Show InChI InChI=1S/C20H21NO5S2/c22-15(23)10-26-16-18-17(28-19(16)20(24)25)13-7-6-12(8-14(13)27-18)21-9-11-4-2-1-3-5-11/h6-8,11,21H,1-5,9-10H2,(H,22,23)(H,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	680	-35.2	n/a	n/a	n/a	n/a	n/a	n/a	25
Wyeth Research					Assay Description The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...				Bioorg Med Chem 14: 2162-77 (2006) Article DOI: 10.1016/j.bmc.2005.11.005 BindingDB Entry DOI: 10.7270/Q289143K
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM14236 (5-(carboxymethoxy)-10-(cyclohexylamino)-3,7-dithia...) Show SMILES OC(=O)COc1c(sc2c1sc1cc(NC3CCCCC3)ccc21)C(O)=O Show InChI InChI=1S/C19H19NO5S2/c21-14(22)9-25-15-17-16(27-18(15)19(23)24)12-7-6-11(8-13(12)26-17)20-10-4-2-1-3-5-10/h6-8,10,20H,1-5,9H2,(H,21,22)(H,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	740	-35.0	n/a	n/a	n/a	n/a	n/a	n/a	25
Wyeth Research					Assay Description The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...				Bioorg Med Chem 14: 2162-77 (2006) Article DOI: 10.1016/j.bmc.2005.11.005 BindingDB Entry DOI: 10.7270/Q289143K
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM14233 (5-(carboxymethoxy)-9-[(cyclohexylmethyl)amino]-3,7...) Show SMILES OC(=O)COc1c(sc2c1sc1c(NCC3CCCCC3)cccc21)C(O)=O Show InChI InChI=1S/C20H21NO5S2/c22-14(23)10-26-15-18-17(28-19(15)20(24)25)12-7-4-8-13(16(12)27-18)21-9-11-5-2-1-3-6-11/h4,7-8,11,21H,1-3,5-6,9-10H2,(H,22,23)(H,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	920	-34.5	n/a	n/a	n/a	n/a	n/a	n/a	25
Wyeth Research					Assay Description The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...				Bioorg Med Chem 14: 2162-77 (2006) Article DOI: 10.1016/j.bmc.2005.11.005 BindingDB Entry DOI: 10.7270/Q289143K
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM14238 (5-(carboxymethoxy)-10-{[1-(ethanesulfonyl)piperidi...) Show SMILES CCS(=O)(=O)N1CCC(CC1)Nc1ccc2c(c1)sc1c(OCC(O)=O)c(sc21)C(O)=O Show InChI InChI=1S/C20H22N2O7S3/c1-2-32(27,28)22-7-5-11(6-8-22)21-12-3-4-13-14(9-12)30-18-16(29-10-15(23)24)19(20(25)26)31-17(13)18/h3-4,9,11,21H,2,5-8,10H2,1H3,(H,23,24)(H,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.60E+3	-33.1	n/a	n/a	n/a	n/a	n/a	n/a	25
Wyeth Research					Assay Description The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...				Bioorg Med Chem 14: 2162-77 (2006) Article DOI: 10.1016/j.bmc.2005.11.005 BindingDB Entry DOI: 10.7270/Q289143K
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM14235 (5-(carboxymethoxy)-9-(cyclohexylamino)-3,7-dithiat...) Show SMILES OC(=O)COc1c(sc2c1sc1c(NC3CCCCC3)cccc21)C(O)=O Show InChI InChI=1S/C19H19NO5S2/c21-13(22)9-25-14-17-16(27-18(14)19(23)24)11-7-4-8-12(15(11)26-17)20-10-5-2-1-3-6-10/h4,7-8,10,20H,1-3,5-6,9H2,(H,21,22)(H,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.70E+3	-32.9	n/a	n/a	n/a	n/a	n/a	n/a	25
Wyeth Research					Assay Description The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...				Bioorg Med Chem 14: 2162-77 (2006) Article DOI: 10.1016/j.bmc.2005.11.005 BindingDB Entry DOI: 10.7270/Q289143K
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM14237 (5-(carboxymethoxy)-10-(oxan-4-ylamino)-3,7-dithiat...) Show SMILES OC(=O)COc1c(sc2c3ccc(NC4CCOCC4)cc3sc12)C(O)=O Show InChI InChI=1S/C18H17NO6S2/c20-13(21)8-25-14-16-15(27-17(14)18(22)23)11-2-1-10(7-12(11)26-16)19-9-3-5-24-6-4-9/h1-2,7,9,19H,3-6,8H2,(H,20,21)(H,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.40E+3	-32.1	n/a	n/a	n/a	n/a	n/a	n/a	25
Wyeth Research					Assay Description The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...				Bioorg Med Chem 14: 2162-77 (2006) Article DOI: 10.1016/j.bmc.2005.11.005 BindingDB Entry DOI: 10.7270/Q289143K
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM14232 (5-(carboxymethoxy)-10-chloro-3,7-dithiatricyclo[6....) Show SMILES OC(=O)COc1c(sc2c1sc1cc(Cl)ccc21)C(O)=O Show InChI InChI=1S/C13H7ClO5S2/c14-5-1-2-6-7(3-5)20-11-9(19-4-8(15)16)12(13(17)18)21-10(6)11/h1-3H,4H2,(H,15,16)(H,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.50E+3	-31.1	n/a	n/a	n/a	n/a	n/a	n/a	25
Wyeth Research					Assay Description The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...				Bioorg Med Chem 14: 2162-77 (2006) Article DOI: 10.1016/j.bmc.2005.11.005 BindingDB Entry DOI: 10.7270/Q289143K
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human))	BDBM14230 (5-(carboxymethoxy)-3,7-dithiatricyclo[6.4.0.0^{2,6...) Show SMILES OC(=O)COc1c(sc2c1sc1ccccc21)C(O)=O Show InChI InChI=1S/C13H8O5S2/c14-8(15)5-18-9-11-10(20-12(9)13(16)17)6-3-1-2-4-7(6)19-11/h1-4H,5H2,(H,14,15)(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.10E+3	-30.7	n/a	n/a	n/a	n/a	n/a	n/a	25
Wyeth Research					Assay Description The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...				Bioorg Med Chem 14: 2162-77 (2006) Article DOI: 10.1016/j.bmc.2005.11.005 BindingDB Entry DOI: 10.7270/Q289143K
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM14230 (5-(carboxymethoxy)-3,7-dithiatricyclo[6.4.0.0^{2,6...) Show SMILES OC(=O)COc1c(sc2c1sc1ccccc21)C(O)=O Show InChI InChI=1S/C13H8O5S2/c14-8(15)5-18-9-11-10(20-12(9)13(16)17)6-3-1-2-4-7(6)19-11/h1-4H,5H2,(H,14,15)(H,16,17)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9.20E+3	-28.7	n/a	n/a	n/a	n/a	n/a	n/a	25
Wyeth Research					Assay Description The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...				Bioorg Med Chem 14: 2162-77 (2006) Article DOI: 10.1016/j.bmc.2005.11.005 BindingDB Entry DOI: 10.7270/Q289143K
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM14231 (5-(carboxymethoxy)-9-chloro-3,7-dithiatricyclo[6.4...) Show SMILES OC(=O)COc1c(sc2c1sc1c(Cl)cccc21)C(O)=O Show InChI InChI=1S/C13H7ClO5S2/c14-6-3-1-2-5-9(6)20-11-8(19-4-7(15)16)12(13(17)18)21-10(5)11/h1-3H,4H2,(H,15,16)(H,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	-28.5	n/a	n/a	n/a	n/a	n/a	n/a	25
Wyeth Research					Assay Description The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...				Bioorg Med Chem 14: 2162-77 (2006) Article DOI: 10.1016/j.bmc.2005.11.005 BindingDB Entry DOI: 10.7270/Q289143K
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM14228 (5-(carboxymethoxy)-3-thiatricyclo[7.4.0.0^{2,6}]tr...) Show SMILES OC(=O)COc1c(sc2c1ccc1ccccc21)C(O)=O Show InChI InChI=1S/C15H10O5S/c16-11(17)7-20-12-10-6-5-8-3-1-2-4-9(8)13(10)21-14(12)15(18)19/h1-6H,7H2,(H,16,17)(H,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.10E+4	-28.3	n/a	n/a	n/a	n/a	n/a	n/a	25
Wyeth Research					Assay Description The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...				Bioorg Med Chem 14: 2162-77 (2006) Article DOI: 10.1016/j.bmc.2005.11.005 BindingDB Entry DOI: 10.7270/Q289143K
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM14225 (3-(carboxymethoxy)-6-[(1-phenyl-1H-pyrazol-3-yl)ca...) Show SMILES OC(=O)COc1c(sc2cc(ccc12)C(=O)Nc1ccn(n1)-c1ccccc1)C(O)=O Show InChI InChI=1S/C21H15N3O6S/c25-17(26)11-30-18-14-7-6-12(10-15(14)31-19(18)21(28)29)20(27)22-16-8-9-24(23-16)13-4-2-1-3-5-13/h1-10H,11H2,(H,25,26)(H,28,29)(H,22,23,27)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.00E+4	-26.6	n/a	n/a	n/a	n/a	n/a	7.0	22
Wyeth Research					Assay Description The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...				Bioorg Med Chem 14: 2162-77 (2006) Article DOI: 10.1016/j.bmc.2005.11.005 BindingDB Entry DOI: 10.7270/Q289143K
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM14223 (3-(carboxymethoxy)-6-(4-hydroxyphenyl)-1-benzothio...) Show SMILES OC(=O)COc1c(sc2cc(ccc12)-c1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C17H12O6S/c18-11-4-1-9(2-5-11)10-3-6-12-13(7-10)24-16(17(21)22)15(12)23-8-14(19)20/h1-7,18H,8H2,(H,19,20)(H,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.60E+4	-25.9	n/a	n/a	n/a	n/a	n/a	7.0	22
Wyeth Research					Assay Description The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...				Bioorg Med Chem 14: 2162-77 (2006) Article DOI: 10.1016/j.bmc.2005.11.005 BindingDB Entry DOI: 10.7270/Q289143K
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM14224 (3-(carboxymethoxy)-6-(thiophen-2-yl)-1-benzothioph...) Show SMILES OC(=O)COc1c(sc2cc(ccc12)-c1cccs1)C(O)=O Show InChI InChI=1S/C15H10O5S2/c16-12(17)7-20-13-9-4-3-8(10-2-1-5-21-10)6-11(9)22-14(13)15(18)19/h1-6H,7H2,(H,16,17)(H,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.00E+4	-25.6	n/a	n/a	n/a	n/a	n/a	7.0	22
Wyeth Research					Assay Description The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...				Bioorg Med Chem 14: 2162-77 (2006) Article DOI: 10.1016/j.bmc.2005.11.005 BindingDB Entry DOI: 10.7270/Q289143K
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM14227 (3-(carboxymethoxy)-7-methyl-1-benzothiophene-2-car...) Show SMILES Cc1cccc2c(OCC(O)=O)c(sc12)C(O)=O Show InChI InChI=1S/C12H10O5S/c1-6-3-2-4-7-9(17-5-8(13)14)11(12(15)16)18-10(6)7/h2-4H,5H2,1H3,(H,13,14)(H,15,16)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.70E+4	-25.3	n/a	n/a	n/a	n/a	n/a	n/a	25
Wyeth Research					Assay Description The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...				Bioorg Med Chem 14: 2162-77 (2006) Article DOI: 10.1016/j.bmc.2005.11.005 BindingDB Entry DOI: 10.7270/Q289143K
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM14221 (6-bromo-3-(carboxymethoxy)-1-benzothiophene-2-carb...) Show SMILES OC(=O)COc1c(sc2cc(Br)ccc12)C(O)=O Show InChI InChI=1S/C11H7BrO5S/c12-5-1-2-6-7(3-5)18-10(11(15)16)9(6)17-4-8(13)14/h1-3H,4H2,(H,13,14)(H,15,16)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.20E+4	-24.7	n/a	n/a	n/a	n/a	n/a	7.0	22
Wyeth Research					Assay Description The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...				Bioorg Med Chem 14: 2162-77 (2006) Article DOI: 10.1016/j.bmc.2005.11.005 BindingDB Entry DOI: 10.7270/Q289143K
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM14220 (3-[carboxy(fluoro)methoxy]-6-chloro-1-benzothiophe...) Show SMILES OC(=O)C(F)Oc1c(sc2cc(Cl)ccc12)C(O)=O Show InChI InChI=1S/C11H6ClFO5S/c12-4-1-2-5-6(3-4)19-8(10(14)15)7(5)18-9(13)11(16)17/h1-3,9H,(H,14,15)(H,16,17)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.20E+4	-24.2	n/a	n/a	n/a	n/a	n/a	7.0	22
Wyeth Research					Assay Description The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...				Bioorg Med Chem 14: 2162-77 (2006) Article DOI: 10.1016/j.bmc.2005.11.005 BindingDB Entry DOI: 10.7270/Q289143K
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM14218 (3-(carboxymethoxy)-6-chloro-1-benzothiophene-2-car...) Show SMILES OC(=O)COc1c(sc2cc(Cl)ccc12)C(O)=O Show InChI InChI=1S/C11H7ClO5S/c12-5-1-2-6-7(3-5)18-10(11(15)16)9(6)17-4-8(13)14/h1-3H,4H2,(H,13,14)(H,15,16)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.10E+4	-23.8	n/a	n/a	n/a	n/a	n/a	7.0	22
Wyeth Research					Assay Description The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...				Bioorg Med Chem 14: 2162-77 (2006) Article DOI: 10.1016/j.bmc.2005.11.005 BindingDB Entry DOI: 10.7270/Q289143K
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM14216 (3-(carboxymethoxy)thieno[3,2-b]pyridine-2-carboxyl...) Show SMILES OC(=O)COc1c(sc2cccnc12)C(O)=O Show InChI InChI=1S/C10H7NO5S/c12-6(13)4-16-8-7-5(2-1-3-11-7)17-9(8)10(14)15/h1-3H,4H2,(H,12,13)(H,14,15)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	7.70E+4	-23.2	n/a	n/a	n/a	n/a	n/a	7.0	22
Wyeth Research					Assay Description The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...				Bioorg Med Chem 14: 2162-77 (2006) Article DOI: 10.1016/j.bmc.2005.11.005 BindingDB Entry DOI: 10.7270/Q289143K
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM14226 (3-(carboxymethoxy)-7-chloro-1-benzothiophene-2-car...) Show SMILES OC(=O)COc1c(sc2c(Cl)cccc12)C(O)=O Show InChI InChI=1S/C11H7ClO5S/c12-6-3-1-2-5-8(17-4-7(13)14)10(11(15)16)18-9(5)6/h1-3H,4H2,(H,13,14)(H,15,16)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.19E+5	-22.4	n/a	n/a	n/a	n/a	n/a	n/a	25
Wyeth Research					Assay Description The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...				Bioorg Med Chem 14: 2162-77 (2006) Article DOI: 10.1016/j.bmc.2005.11.005 BindingDB Entry DOI: 10.7270/Q289143K
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM14222 (3-(carboxymethoxy)-6-phenyl-1-benzothiophene-2-car...) Show SMILES OC(=O)COc1c(sc2cc(ccc12)-c1ccccc1)C(O)=O Show InChI InChI=1S/C17H12O5S/c18-14(19)9-22-15-12-7-6-11(10-4-2-1-3-5-10)8-13(12)23-16(15)17(20)21/h1-8H,9H2,(H,18,19)(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.28E+5	-22.0	n/a	n/a	n/a	n/a	n/a	7.0	22
Wyeth Research					Assay Description The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...				Bioorg Med Chem 14: 2162-77 (2006) Article DOI: 10.1016/j.bmc.2005.11.005 BindingDB Entry DOI: 10.7270/Q289143K
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM14214 (3-(carboxymethoxy)-1-benzothiophene-2-carboxylic a...) Show SMILES OC(=O)COc1c(sc2ccccc12)C(O)=O Show InChI InChI=1S/C11H8O5S/c12-8(13)5-16-9-6-3-1-2-4-7(6)17-10(9)11(14)15/h1-4H,5H2,(H,12,13)(H,14,15)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.60E+5	-21.4	n/a	n/a	n/a	n/a	n/a	7.0	22
Wyeth Research					Assay Description The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...				Bioorg Med Chem 14: 2162-77 (2006) Article DOI: 10.1016/j.bmc.2005.11.005 BindingDB Entry DOI: 10.7270/Q289143K
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM14211 (3-(carboxymethoxy)thieno[2,3-b]pyridine-2-carboxyl...) Show SMILES OC(=O)COc1c(sc2ncccc12)C(O)=O Show InChI InChI=1S/C10H7NO5S/c12-6(13)4-16-7-5-2-1-3-11-9(5)17-8(7)10(14)15/h1-3H,4H2,(H,12,13)(H,14,15)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents	DrugBank MMDB PDB Article PubMed	2.30E+5	-20.6	n/a	n/a	n/a	n/a	n/a	7.4	22
Wyeth Research					Assay Description The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...				Bioorg Med Chem 14: 2162-77 (2006) Article DOI: 10.1016/j.bmc.2005.11.005 BindingDB Entry DOI: 10.7270/Q289143K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM14217 (3-(carboxymethoxy)thieno[3,2-b]thiophene-2-carboxy...) Show SMILES OC(=O)COc1c(sc2ccsc12)C(O)=O Show InChI InChI=1S/C9H6O5S2/c10-5(11)3-14-6-7-4(1-2-15-7)16-8(6)9(12)13/h1-2H,3H2,(H,10,11)(H,12,13)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	2.80E+5	-20.1	n/a	n/a	n/a	n/a	n/a	7.0	22
Wyeth Research					Assay Description The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...				Bioorg Med Chem 14: 2162-77 (2006) Article DOI: 10.1016/j.bmc.2005.11.005 BindingDB Entry DOI: 10.7270/Q289143K
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM14229 (5-(carboxymethoxy)-3-thia-8-azatricyclo[7.4.0.0^{2...) Show SMILES OC(=O)COc1c(sc2c1cnc1ccccc21)C(O)=O Show InChI InChI=1S/C14H9NO5S/c16-10(17)6-20-11-8-5-15-9-4-2-1-3-7(9)12(8)21-13(11)14(18)19/h1-5H,6H2,(H,16,17)(H,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>5.00E+5	>-18.8	n/a	n/a	n/a	n/a	n/a	n/a	25
Wyeth Research					Assay Description The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...				Bioorg Med Chem 14: 2162-77 (2006) Article DOI: 10.1016/j.bmc.2005.11.005 BindingDB Entry DOI: 10.7270/Q289143K
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM14212 (3-(carboxymethoxy)naphthalene-2-carboxylic acid | ...) Show SMILES OC(=O)COc1cc2ccccc2cc1C(O)=O Show InChI InChI=1S/C13H10O5/c14-12(15)7-18-11-6-9-4-2-1-3-8(9)5-10(11)13(16)17/h1-6H,7H2,(H,14,15)(H,16,17)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	8.60E+5	-17.3	n/a	n/a	n/a	n/a	n/a	7.0	22
Wyeth Research					Assay Description The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...				Bioorg Med Chem 14: 2162-77 (2006) Article DOI: 10.1016/j.bmc.2005.11.005 BindingDB Entry DOI: 10.7270/Q289143K
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM14215 (3-(carboxymethoxy)-6-methylthieno[3,2-c]pyridine-2...) Show SMILES Cc1cc2sc(C(O)=O)c(OCC(O)=O)c2cn1 Show InChI InChI=1S/C11H9NO5S/c1-5-2-7-6(3-12-5)9(17-4-8(13)14)10(18-7)11(15)16/h2-3H,4H2,1H3,(H,13,14)(H,15,16)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	>2.50E+6	>-14.7	n/a	n/a	n/a	n/a	n/a	7.0	22
Wyeth Research					Assay Description The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...				Bioorg Med Chem 14: 2162-77 (2006) Article DOI: 10.1016/j.bmc.2005.11.005 BindingDB Entry DOI: 10.7270/Q289143K
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM14213 (3-(carboxymethoxy)furo[2,3-b]pyridine-2-carboxylic...) Show SMILES OC(=O)COc1c(oc2ncccc12)C(O)=O Show InChI InChI=1S/C10H7NO6/c12-6(13)4-16-7-5-2-1-3-11-9(5)17-8(7)10(14)15/h1-3H,4H2,(H,12,13)(H,14,15)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>2.50E+6	>-14.7	n/a	n/a	n/a	n/a	n/a	7.0	22
Wyeth Research					Assay Description The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...				Bioorg Med Chem 14: 2162-77 (2006) Article DOI: 10.1016/j.bmc.2005.11.005 BindingDB Entry DOI: 10.7270/Q289143K
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM14219 (3-(1-carboxyethoxy)-6-chloro-1-benzothiophene-2-ca...) Show SMILES CC(Oc1c(sc2cc(Cl)ccc12)C(O)=O)C(O)=O Show InChI InChI=1S/C12H9ClO5S/c1-5(11(14)15)18-9-7-3-2-6(13)4-8(7)19-10(9)12(16)17/h2-5H,1H3,(H,14,15)(H,16,17)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>2.50E+6	>-14.7	n/a	n/a	n/a	n/a	n/a	7.0	22
Wyeth Research					Assay Description The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...				Bioorg Med Chem 14: 2162-77 (2006) Article DOI: 10.1016/j.bmc.2005.11.005 BindingDB Entry DOI: 10.7270/Q289143K
					More data for this Ligand-Target Pair				3D Structure (docked)