Compile Data Set for Download or QSAR

Found 17 hits Enz. Inhib. hit(s) with all data for entry = 50046070   

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 (Homo sapiens (Human))	BDBM50093525 (taiwaniaflavone) Show SMILES Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1-c1cc(ccc1O)-c1cc(=O)c2c(O)cc(O)cc2o1 |(2.2,-12.35,;.87,-13.13,;.88,-14.67,;-.45,-15.44,;-1.79,-14.67,;-1.8,-13.14,;-.47,-12.36,;-3.12,-15.45,;-4.47,-14.67,;-5.81,-15.46,;-7.15,-14.7,;-8.47,-15.47,;-9.81,-14.7,;-8.48,-17.01,;-7.14,-17.78,;-7.15,-19.32,;-5.8,-17.02,;-4.46,-17.78,;-4.45,-19.32,;-3.11,-17,;-1.78,-17.77,;-.46,-17,;.88,-17.76,;.89,-19.3,;-.45,-20.08,;-1.78,-19.31,;-3.11,-20.08,;2.21,-16.98,;2.19,-15.44,;3.52,-14.67,;3.52,-13.13,;4.86,-15.43,;6.18,-14.67,;6.17,-13.13,;7.51,-15.42,;7.52,-16.96,;8.86,-17.73,;6.19,-17.73,;4.86,-16.97,;3.54,-17.75,)| Show InChI InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)30-26(29(38)28-21(36)9-17(33)11-25(28)40-30)18-7-14(3-6-19(18)34)23-12-22(37)27-20(35)8-16(32)10-24(27)39-23/h1-12,31-36H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Catholic University of Daegu Curated by ChEMBL					Assay Description Mixed-competitive inhibition of human recombinant PTP1B using p-NPP as substrate preincubated for 10 mins followed by substrate addition measured aft...				Bioorg Med Chem 23: 3730-7 (2015) Article DOI: 10.1016/j.bmc.2015.04.007 BindingDB Entry DOI: 10.7270/Q25T3N81
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50259862 (13,II8-biapigenin | 3,8''-biapigenin | CHEMBL51525...) Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)cc3)c2o1 |(4.11,-9.88,;3.39,-11.25,;4.21,-12.55,;3.49,-13.91,;1.94,-13.97,;1.13,-12.67,;1.84,-11.31,;1.22,-15.32,;2.03,-16.61,;1.32,-17.95,;2.13,-19.25,;-.19,-18,;-.92,-19.36,;-.11,-20.67,;-2.45,-19.41,;-3.25,-18.11,;-4.31,-19.19,;-2.52,-16.76,;-3.32,-15.46,;-3.32,-13.91,;-4.67,-13.14,;-6,-13.93,;-7.34,-13.16,;-8.67,-13.94,;-10.01,-13.17,;-8.67,-15.48,;-7.34,-16.25,;-7.34,-17.8,;-6,-15.48,;-4.66,-16.24,;-4.56,-17.65,;-2.16,-12.91,;-.7,-13.43,;.47,-12.42,;.18,-10.91,;1.35,-9.9,;-1.28,-10.4,;-2.45,-11.41,;-1,-16.72,;-.3,-15.38,)| Show InChI InChI=1S/C30H18O10/c31-15-5-1-13(2-6-15)22-12-21(37)24-19(35)11-20(36)26(30(24)39-22)27-28(38)25-18(34)9-17(33)10-23(25)40-29(27)14-3-7-16(32)8-4-14/h1-12,31-36H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Catholic University of Daegu Curated by ChEMBL					Assay Description Mixed-competitive inhibition of human recombinant PTP1B using p-NPP as substrate preincubated for 10 mins followed by substrate addition measured aft...				Bioorg Med Chem 23: 3730-7 (2015) Article DOI: 10.1016/j.bmc.2015.04.007 BindingDB Entry DOI: 10.7270/Q25T3N81
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50148911 ((3beta)-3-hydroxyurs-12-en-28-oic acid | 3beta-hyd...) Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9| Show InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Catholic University of Daegu Curated by ChEMBL					Assay Description Mixed-competitive inhibition of human recombinant PTP1B using p-NPP as substrate preincubated for 10 mins followed by substrate addition measured aft...				Bioorg Med Chem 23: 3730-7 (2015) Article DOI: 10.1016/j.bmc.2015.04.007 BindingDB Entry DOI: 10.7270/Q25T3N81
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50323212 (6-[5-(5,7-Dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydro...) Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)c(c(O)cc2o1)-c1cc(ccc1O)-c1cc(O)c2c(cc(O)cc2=O)o1 |(14.56,-27.41,;13.23,-26.63,;11.89,-27.39,;10.56,-26.61,;10.57,-25.07,;11.9,-24.31,;13.23,-25.08,;9.25,-24.3,;7.91,-25.06,;6.59,-24.28,;5.25,-25.04,;6.6,-22.75,;5.27,-21.99,;3.93,-22.76,;5.28,-20.46,;6.6,-19.69,;6.6,-18.15,;7.93,-20.45,;7.93,-21.99,;9.26,-22.76,;3.95,-19.69,;2.61,-20.46,;1.28,-19.68,;1.28,-18.14,;2.61,-17.37,;3.95,-18.15,;5.29,-17.38,;-.06,-20.44,;-.06,-22,;-1.41,-22.77,;-1.41,-24.31,;-2.75,-21.99,;-2.75,-20.44,;-4.08,-19.67,;-5.41,-20.45,;-6.75,-19.67,;-5.42,-21.99,;-4.08,-22.76,;-4.08,-24.3,;-1.41,-19.66,)| Show InChI InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)23-11-22(37)29-26(39-23)12-20(35)27(30(29)38)17-7-14(3-6-18(17)33)24-10-21(36)28-19(34)8-16(32)9-25(28)40-24/h1-12,31-33,35-36,38H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Catholic University of Daegu Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B using p-NPP as substrate preincubated for 10 mins followed by substrate addition measured after 20 mins by micr...				Bioorg Med Chem 23: 3730-7 (2015) Article DOI: 10.1016/j.bmc.2015.04.007 BindingDB Entry DOI: 10.7270/Q25T3N81
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50129952 (2-(3-(5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-c...) Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(13.25,-26.01,;14.59,-25.24,;14.59,-23.7,;15.92,-22.93,;17.26,-23.7,;17.26,-25.24,;15.93,-26.01,;18.58,-22.93,;19.91,-23.69,;21.23,-22.92,;22.57,-23.69,;21.22,-21.4,;22.56,-20.64,;23.88,-21.41,;22.55,-19.1,;21.22,-18.33,;21.22,-16.79,;19.9,-19.11,;18.57,-18.34,;17.23,-19.1,;15.9,-18.33,;15.9,-16.79,;17.23,-16.02,;18.57,-16.79,;19.91,-16.02,;14.57,-19.09,;14.56,-20.65,;13.21,-21.42,;13.21,-22.96,;11.87,-20.64,;11.88,-19.08,;10.54,-18.32,;9.21,-19.09,;7.87,-18.32,;9.21,-20.64,;10.54,-21.41,;10.54,-22.95,;13.22,-18.3,;19.9,-20.64,;18.58,-21.4,)| Show InChI InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-33,35-37H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Catholic University of Daegu Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B using p-NPP as substrate preincubated for 10 mins followed by substrate addition measured after 20 mins by micr...				Bioorg Med Chem 23: 3730-7 (2015) Article DOI: 10.1016/j.bmc.2015.04.007 BindingDB Entry DOI: 10.7270/Q25T3N81
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50093524 (CHEMBL3585680) Show SMILES Oc1ccc(cc1)-c1cc(=O)c2ccc(O)c(-c3cc([C@@H]4CC(=O)c5c(O)cc(O)cc5O4)c(O)cc3O)c2o1 |r,wD:20.20,(1.56,-5.97,;2.63,-5.36,;3.96,-6.14,;5.3,-5.38,;5.31,-3.84,;3.98,-3.06,;2.64,-3.82,;6.65,-3.07,;7.97,-3.85,;9.31,-3.09,;10.37,-3.71,;9.32,-1.55,;10.65,-.79,;10.67,.76,;9.34,1.54,;9.34,2.77,;8,.76,;6.66,1.53,;5.33,.77,;4,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;1.33,-2.77,;,-.77,;-1.33,-1.54,;-1.33,-2.77,;-2.68,-.77,;-2.68,.77,;-3.75,1.39,;-1.33,1.54,;,.77,;1.33,1.54,;4,3.08,;2.93,3.7,;5.33,3.85,;6.67,3.07,;7.73,3.69,;7.99,-.78,;6.65,-1.54,)| Show InChI InChI=1S/C30H20O10/c31-14-3-1-13(2-4-14)25-11-22(36)16-5-6-19(33)28(30(16)40-25)18-9-17(20(34)10-21(18)35)26-12-24(38)29-23(37)7-15(32)8-27(29)39-26/h1-11,26,31-35,37H,12H2/t26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Catholic University of Daegu Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B using p-NPP as substrate preincubated for 10 mins followed by substrate addition measured after 20 mins by micr...				Bioorg Med Chem 23: 3730-7 (2015) Article DOI: 10.1016/j.bmc.2015.04.007 BindingDB Entry DOI: 10.7270/Q25T3N81
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50323213 (CHEMBL1208973 | cupressuflavone) Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3c(O)cc(O)c4c3oc(cc4=O)-c3ccc(O)cc3)c2o1 |(5.18,-39.53,;3.84,-40.3,;3.85,-41.86,;2.51,-42.63,;1.18,-41.86,;1.18,-40.31,;2.51,-39.54,;-.15,-42.62,;-.15,-44.15,;-1.48,-44.92,;-1.48,-46.46,;-2.8,-44.15,;-4.14,-44.93,;-4.14,-46.48,;-5.47,-44.16,;-5.47,-42.62,;-6.8,-41.84,;-4.13,-41.86,;-4.13,-35.97,;-5.46,-35.2,;-6.8,-35.97,;-5.46,-33.67,;-4.13,-32.9,;-4.13,-31.36,;-2.8,-33.65,;-2.79,-35.2,;-1.45,-35.97,;-.11,-35.19,;-.12,-33.64,;-1.46,-32.87,;-1.46,-31.33,;1.21,-35.96,;1.22,-37.5,;2.55,-38.27,;3.88,-37.5,;5.22,-38.27,;3.88,-35.96,;2.55,-35.19,;-2.8,-42.62,;-1.48,-41.85,)| Show InChI InChI=1S/C30H18O10/c31-15-5-1-13(2-6-15)23-11-21(37)25-17(33)9-19(35)27(29(25)39-23)28-20(36)10-18(34)26-22(38)12-24(40-30(26)28)14-3-7-16(32)8-4-14/h1-12,31-36H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	1.07E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Catholic University of Daegu Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B using p-NPP as substrate preincubated for 10 mins followed by substrate addition measured after 20 mins by micr...				Bioorg Med Chem 23: 3730-7 (2015) Article DOI: 10.1016/j.bmc.2015.04.007 BindingDB Entry DOI: 10.7270/Q25T3N81
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50093523 (CHEMBL3585679 | PTP1B spring 6 (6)) Show SMILES OCc1ccc(-c2ccc(O)cc2)c(C(O)=O)c1C#Cc1ccc(O)cc1 Show InChI InChI=1S/C22H16O5/c23-13-16-6-12-19(15-4-9-18(25)10-5-15)21(22(26)27)20(16)11-3-14-1-7-17(24)8-2-14/h1-2,4-10,12,23-25H,13H2,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.45E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Catholic University of Daegu Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B using p-NPP as substrate preincubated for 10 mins followed by substrate addition measured after 20 mins by micr...				Bioorg Med Chem 23: 3730-7 (2015) Article DOI: 10.1016/j.bmc.2015.04.007 BindingDB Entry DOI: 10.7270/Q25T3N81
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50148911 ((3beta)-3-hydroxyurs-12-en-28-oic acid | 3beta-hyd...) Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9| Show InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Catholic University of Daegu Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B using p-NPP as substrate preincubated for 10 mins followed by substrate addition measured after 20 mins by micr...				Bioorg Med Chem 23: 3730-7 (2015) Article DOI: 10.1016/j.bmc.2015.04.007 BindingDB Entry DOI: 10.7270/Q25T3N81
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50093526 (CHEMBL426373 | RK-682) Show SMILES CCCCCCCCCCCCCCCC(=O)C1=C(O)[C@@H](CO)OC1=O |r,c:17| Show InChI InChI=1S/C21H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(23)19-20(24)18(16-22)26-21(19)25/h18,22,24H,2-16H2,1H3/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Catholic University of Daegu Curated by ChEMBL					Assay Description Mixed-competitive inhibition of human recombinant PTP1B using p-NPP as substrate preincubated for 10 mins followed by substrate addition measured aft...				Bioorg Med Chem 23: 3730-7 (2015) Article DOI: 10.1016/j.bmc.2015.04.007 BindingDB Entry DOI: 10.7270/Q25T3N81
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50259862 (13,II8-biapigenin | 3,8''-biapigenin | CHEMBL51525...) Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)cc3)c2o1 |(4.11,-9.88,;3.39,-11.25,;4.21,-12.55,;3.49,-13.91,;1.94,-13.97,;1.13,-12.67,;1.84,-11.31,;1.22,-15.32,;2.03,-16.61,;1.32,-17.95,;2.13,-19.25,;-.19,-18,;-.92,-19.36,;-.11,-20.67,;-2.45,-19.41,;-3.25,-18.11,;-4.31,-19.19,;-2.52,-16.76,;-3.32,-15.46,;-3.32,-13.91,;-4.67,-13.14,;-6,-13.93,;-7.34,-13.16,;-8.67,-13.94,;-10.01,-13.17,;-8.67,-15.48,;-7.34,-16.25,;-7.34,-17.8,;-6,-15.48,;-4.66,-16.24,;-4.56,-17.65,;-2.16,-12.91,;-.7,-13.43,;.47,-12.42,;.18,-10.91,;1.35,-9.9,;-1.28,-10.4,;-2.45,-11.41,;-1,-16.72,;-.3,-15.38,)| Show InChI InChI=1S/C30H18O10/c31-15-5-1-13(2-6-15)22-12-21(37)24-19(35)11-20(36)26(30(24)39-22)27-28(38)25-18(34)9-17(33)10-23(25)40-29(27)14-3-7-16(32)8-4-14/h1-12,31-36H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Catholic University of Daegu Curated by ChEMBL					Assay Description Mixed-competitive inhibition of human recombinant PTP1B using p-NPP as substrate preincubated for 10 mins followed by substrate addition measured aft...				Bioorg Med Chem 23: 3730-7 (2015) Article DOI: 10.1016/j.bmc.2015.04.007 BindingDB Entry DOI: 10.7270/Q25T3N81
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50093525 (taiwaniaflavone) Show SMILES Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1-c1cc(ccc1O)-c1cc(=O)c2c(O)cc(O)cc2o1 |(2.2,-12.35,;.87,-13.13,;.88,-14.67,;-.45,-15.44,;-1.79,-14.67,;-1.8,-13.14,;-.47,-12.36,;-3.12,-15.45,;-4.47,-14.67,;-5.81,-15.46,;-7.15,-14.7,;-8.47,-15.47,;-9.81,-14.7,;-8.48,-17.01,;-7.14,-17.78,;-7.15,-19.32,;-5.8,-17.02,;-4.46,-17.78,;-4.45,-19.32,;-3.11,-17,;-1.78,-17.77,;-.46,-17,;.88,-17.76,;.89,-19.3,;-.45,-20.08,;-1.78,-19.31,;-3.11,-20.08,;2.21,-16.98,;2.19,-15.44,;3.52,-14.67,;3.52,-13.13,;4.86,-15.43,;6.18,-14.67,;6.17,-13.13,;7.51,-15.42,;7.52,-16.96,;8.86,-17.73,;6.19,-17.73,;4.86,-16.97,;3.54,-17.75,)| Show InChI InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)30-26(29(38)28-21(36)9-17(33)11-25(28)40-30)18-7-14(3-6-19(18)34)23-12-22(37)27-20(35)8-16(32)10-24(27)39-23/h1-12,31-36H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Catholic University of Daegu Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B using p-NPP as substrate preincubated for 10 mins followed by substrate addition measured after 20 mins by micr...				Bioorg Med Chem 23: 3730-7 (2015) Article DOI: 10.1016/j.bmc.2015.04.007 BindingDB Entry DOI: 10.7270/Q25T3N81
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50323212 (6-[5-(5,7-Dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydro...) Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)c(c(O)cc2o1)-c1cc(ccc1O)-c1cc(O)c2c(cc(O)cc2=O)o1 |(14.56,-27.41,;13.23,-26.63,;11.89,-27.39,;10.56,-26.61,;10.57,-25.07,;11.9,-24.31,;13.23,-25.08,;9.25,-24.3,;7.91,-25.06,;6.59,-24.28,;5.25,-25.04,;6.6,-22.75,;5.27,-21.99,;3.93,-22.76,;5.28,-20.46,;6.6,-19.69,;6.6,-18.15,;7.93,-20.45,;7.93,-21.99,;9.26,-22.76,;3.95,-19.69,;2.61,-20.46,;1.28,-19.68,;1.28,-18.14,;2.61,-17.37,;3.95,-18.15,;5.29,-17.38,;-.06,-20.44,;-.06,-22,;-1.41,-22.77,;-1.41,-24.31,;-2.75,-21.99,;-2.75,-20.44,;-4.08,-19.67,;-5.41,-20.45,;-6.75,-19.67,;-5.42,-21.99,;-4.08,-22.76,;-4.08,-24.3,;-1.41,-19.66,)| Show InChI InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)23-11-22(37)29-26(39-23)12-20(35)27(30(29)38)17-7-14(3-6-18(17)33)24-10-21(36)28-19(34)8-16(32)9-25(28)40-24/h1-12,31-33,35-36,38H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Catholic University of Daegu Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B using p-NPP as substrate preincubated for 10 mins followed by substrate addition measured after 20 mins by micr...				Bioorg Med Chem 23: 3730-7 (2015) Article DOI: 10.1016/j.bmc.2015.04.007 BindingDB Entry DOI: 10.7270/Q25T3N81
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50129952 (2-(3-(5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-c...) Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(13.25,-26.01,;14.59,-25.24,;14.59,-23.7,;15.92,-22.93,;17.26,-23.7,;17.26,-25.24,;15.93,-26.01,;18.58,-22.93,;19.91,-23.69,;21.23,-22.92,;22.57,-23.69,;21.22,-21.4,;22.56,-20.64,;23.88,-21.41,;22.55,-19.1,;21.22,-18.33,;21.22,-16.79,;19.9,-19.11,;18.57,-18.34,;17.23,-19.1,;15.9,-18.33,;15.9,-16.79,;17.23,-16.02,;18.57,-16.79,;19.91,-16.02,;14.57,-19.09,;14.56,-20.65,;13.21,-21.42,;13.21,-22.96,;11.87,-20.64,;11.88,-19.08,;10.54,-18.32,;9.21,-19.09,;7.87,-18.32,;9.21,-20.64,;10.54,-21.41,;10.54,-22.95,;13.22,-18.3,;19.9,-20.64,;18.58,-21.4,)| Show InChI InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-33,35-37H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Catholic University of Daegu Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B using p-NPP as substrate preincubated for 10 mins followed by substrate addition measured after 20 mins by micr...				Bioorg Med Chem 23: 3730-7 (2015) Article DOI: 10.1016/j.bmc.2015.04.007 BindingDB Entry DOI: 10.7270/Q25T3N81
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50323213 (CHEMBL1208973 | cupressuflavone) Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3c(O)cc(O)c4c3oc(cc4=O)-c3ccc(O)cc3)c2o1 |(5.18,-39.53,;3.84,-40.3,;3.85,-41.86,;2.51,-42.63,;1.18,-41.86,;1.18,-40.31,;2.51,-39.54,;-.15,-42.62,;-.15,-44.15,;-1.48,-44.92,;-1.48,-46.46,;-2.8,-44.15,;-4.14,-44.93,;-4.14,-46.48,;-5.47,-44.16,;-5.47,-42.62,;-6.8,-41.84,;-4.13,-41.86,;-4.13,-35.97,;-5.46,-35.2,;-6.8,-35.97,;-5.46,-33.67,;-4.13,-32.9,;-4.13,-31.36,;-2.8,-33.65,;-2.79,-35.2,;-1.45,-35.97,;-.11,-35.19,;-.12,-33.64,;-1.46,-32.87,;-1.46,-31.33,;1.21,-35.96,;1.22,-37.5,;2.55,-38.27,;3.88,-37.5,;5.22,-38.27,;3.88,-35.96,;2.55,-35.19,;-2.8,-42.62,;-1.48,-41.85,)| Show InChI InChI=1S/C30H18O10/c31-15-5-1-13(2-6-15)23-11-21(37)25-17(33)9-19(35)27(29(25)39-23)28-20(36)10-18(34)26-22(38)12-24(40-30(26)28)14-3-7-16(32)8-4-14/h1-12,31-36H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Catholic University of Daegu Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant PTP1B using p-NPP as substrate preincubated for 10 mins followed by substrate addition measured after 20 ...				Bioorg Med Chem 23: 3730-7 (2015) Article DOI: 10.1016/j.bmc.2015.04.007 BindingDB Entry DOI: 10.7270/Q25T3N81
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50093524 (CHEMBL3585680) Show SMILES Oc1ccc(cc1)-c1cc(=O)c2ccc(O)c(-c3cc([C@@H]4CC(=O)c5c(O)cc(O)cc5O4)c(O)cc3O)c2o1 |r,wD:20.20,(1.56,-5.97,;2.63,-5.36,;3.96,-6.14,;5.3,-5.38,;5.31,-3.84,;3.98,-3.06,;2.64,-3.82,;6.65,-3.07,;7.97,-3.85,;9.31,-3.09,;10.37,-3.71,;9.32,-1.55,;10.65,-.79,;10.67,.76,;9.34,1.54,;9.34,2.77,;8,.76,;6.66,1.53,;5.33,.77,;4,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;1.33,-2.77,;,-.77,;-1.33,-1.54,;-1.33,-2.77,;-2.68,-.77,;-2.68,.77,;-3.75,1.39,;-1.33,1.54,;,.77,;1.33,1.54,;4,3.08,;2.93,3.7,;5.33,3.85,;6.67,3.07,;7.73,3.69,;7.99,-.78,;6.65,-1.54,)| Show InChI InChI=1S/C30H20O10/c31-14-3-1-13(2-4-14)25-11-22(36)16-5-6-19(33)28(30(16)40-25)18-9-17(20(34)10-21(18)35)26-12-24(38)29-23(37)7-15(32)8-27(29)39-26/h1-11,26,31-35,37H,12H2/t26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Catholic University of Daegu Curated by ChEMBL					Assay Description Uncompetitive inhibition of human recombinant PTP1B using p-NPP as substrate preincubated for 10 mins followed by substrate addition measured after 2...				Bioorg Med Chem 23: 3730-7 (2015) Article DOI: 10.1016/j.bmc.2015.04.007 BindingDB Entry DOI: 10.7270/Q25T3N81
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50093523 (CHEMBL3585679 | PTP1B spring 6 (6)) Show SMILES OCc1ccc(-c2ccc(O)cc2)c(C(O)=O)c1C#Cc1ccc(O)cc1 Show InChI InChI=1S/C22H16O5/c23-13-16-6-12-19(15-4-9-18(25)10-5-15)21(22(26)27)20(16)11-3-14-1-7-17(24)8-2-14/h1-2,4-10,12,23-25H,13H2,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.32E+4	n/a	n/a	n/a	n/a	n/a	n/a
Catholic University of Daegu Curated by ChEMBL					Assay Description Mixed-competitive inhibition of human recombinant PTP1B using p-NPP as substrate preincubated for 10 mins followed by substrate addition measured aft...				Bioorg Med Chem 23: 3730-7 (2015) Article DOI: 10.1016/j.bmc.2015.04.007 BindingDB Entry DOI: 10.7270/Q25T3N81
					More data for this Ligand-Target Pair