Compile Data Set for Download or QSAR

Found 243 hits with Last Name = 'chen' and Initial = 'gr'   

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))	BDBM50347243 (CHEMBL1795950) Show SMILES CC(C)(C)OC(=O)N[C@@H](COCc1cn(nn1)[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C45H52N4O10/c1-45(2,3)59-44(52)46-37(43(50)51)30-54-29-36-24-49(48-47-36)42-41(57-28-35-22-14-7-15-23-35)40(56-27-34-20-12-6-13-21-34)39(55-26-33-18-10-5-11-19-33)38(58-42)31-53-25-32-16-8-4-9-17-32/h4-24,37-42H,25-31H2,1-3H3,(H,46,52)(H,50,51)/t37-,38+,39+,40-,41+,42+/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	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	6.5	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant PTB1B catalytic domain using pNPP substrate at 30 degC and pH 6.5 by Eadie-Hofstee plot				Bioorg Med Chem 19: 3892-900 (2011) Article DOI: 10.1016/j.bmc.2011.05.049 BindingDB Entry DOI: 10.7270/Q2RJ4JTV
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50273794 (CHEMBL446857 | bis((1-(((2R,3R,4R,5S,6S)-3,4,5-tri...) Show SMILES O=C(OCc1cn(C[C@H]2O[C@H]([C@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)C2=CC(=O)C=CC2=O)nn1)c1cccc(c1)C(=O)OCc1cn(C[C@H]2O[C@H]([C@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)C2=CC(=O)C=CC2=O)nn1 |r,c:49,113,t:45,109| Show InChI InChI=1S/C80H60N6O22/c87-57-34-36-61(89)59(39-57)65-69(105-77(95)49-24-11-3-12-25-49)71(107-79(97)51-28-15-5-16-29-51)67(103-75(93)47-20-7-1-8-21-47)63(101-65)43-85-41-55(81-83-85)45-99-73(91)53-32-19-33-54(38-53)74(92)100-46-56-42-86(84-82-56)44-64-68(104-76(94)48-22-9-2-10-23-48)72(108-80(98)52-30-17-6-18-31-52)70(106-78(96)50-26-13-4-14-27-50)66(102-64)60-40-58(88)35-37-62(60)90/h1-42,63-72H,43-46H2/t63-,64-,65+,66+,67-,68-,69+,70+,71+,72+/m1/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	620	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B catalytic domain				Bioorg Med Chem 16: 9757-63 (2008) Article DOI: 10.1016/j.bmc.2008.09.066 BindingDB Entry DOI: 10.7270/Q2G73DJN
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50273795 (CHEMBL510405 | bis((1-(((2R,3S,4R,5S,6S)-3,4,5-tri...) Show SMILES O=C(OCc1cn(C[C@H]2O[C@H]([C@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)C2=CC(=O)C=CC2=O)nn1)c1cccc(c1)C(=O)OCc1cn(C[C@H]2O[C@H]([C@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)C2=CC(=O)C=CC2=O)nn1 |r,c:49,113,t:45,109| Show InChI InChI=1S/C80H60N6O22/c87-57-34-36-61(89)59(39-57)65-69(105-77(95)49-24-11-3-12-25-49)71(107-79(97)51-28-15-5-16-29-51)67(103-75(93)47-20-7-1-8-21-47)63(101-65)43-85-41-55(81-83-85)45-99-73(91)53-32-19-33-54(38-53)74(92)100-46-56-42-86(84-82-56)44-64-68(104-76(94)48-22-9-2-10-23-48)72(108-80(98)52-30-17-6-18-31-52)70(106-78(96)50-26-13-4-14-27-50)66(102-64)60-40-58(88)35-37-62(60)90/h1-42,63-72H,43-46H2/t63-,64-,65+,66+,67+,68+,69+,70+,71+,72+/m1/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	720	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B catalytic domain				Bioorg Med Chem 16: 9757-63 (2008) Article DOI: 10.1016/j.bmc.2008.09.066 BindingDB Entry DOI: 10.7270/Q2G73DJN
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50245900 (2-((((2R,3R,4R,5S,6S)-3,4,5-tris(benzoyloxy)-6-(1,...) Show SMILES COc1cc([C@@H]2O[C@H](CNC(=O)c3ccccc3C(O)=O)[C@@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c(OC)c2ccccc12 |r| Show InChI InChI=1S/C47H39NO12/c1-55-36-26-35(38(56-2)32-23-13-12-22-31(32)36)39-41(59-46(53)29-18-8-4-9-19-29)42(60-47(54)30-20-10-5-11-21-30)40(58-45(52)28-16-6-3-7-17-28)37(57-39)27-48-43(49)33-24-14-15-25-34(33)44(50)51/h3-26,37,39-42H,27H2,1-2H3,(H,48,49)(H,50,51)/t37-,39+,40-,41+,42+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	770	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of recombinant PTP1B				Bioorg Med Chem Lett 18: 6348-51 (2008) Article DOI: 10.1016/j.bmcl.2008.10.091 BindingDB Entry DOI: 10.7270/Q28W3F68
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50273792 (CHEMBL505561 | bis((1-(((2R,3R,4R,5S,6S)-3,4,5-tri...) Show SMILES COc1ccc(OC)c(c1)[C@@H]1O[C@H](Cn2cc(COC(=O)c3cccc(c3)C(=O)OCc3cn(C[C@H]4O[C@H]([C@H](OC(=O)c5ccccc5)[C@@H](OC(=O)c5ccccc5)[C@@H]4OC(=O)c4ccccc4)c4cc(OC)ccc4OC)nn3)nn2)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 |r| Show InChI InChI=1S/C84H72N6O22/c1-99-61-38-40-65(101-3)63(43-61)69-73(109-81(95)53-28-15-7-16-29-53)75(111-83(97)55-32-19-9-20-33-55)71(107-79(93)51-24-11-5-12-25-51)67(105-69)47-89-45-59(85-87-89)49-103-77(91)57-36-23-37-58(42-57)78(92)104-50-60-46-90(88-86-60)48-68-72(108-80(94)52-26-13-6-14-27-52)76(112-84(98)56-34-21-10-22-35-56)74(110-82(96)54-30-17-8-18-31-54)70(106-68)64-44-62(100-2)39-41-66(64)102-4/h5-46,67-76H,47-50H2,1-4H3/t67-,68-,69+,70+,71-,72-,73+,74+,75+,76+/m1/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	870	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B catalytic domain				Bioorg Med Chem 16: 9757-63 (2008) Article DOI: 10.1016/j.bmc.2008.09.066 BindingDB Entry DOI: 10.7270/Q2G73DJN
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50273793 (CHEMBL508150 | bis((1-(((2R,3S,4R,5S,6S)-3,4,5-tri...) Show SMILES COc1ccc(OC)c(c1)[C@@H]1O[C@H](Cn2cc(COC(=O)c3cccc(c3)C(=O)OCc3cn(C[C@H]4O[C@H]([C@H](OC(=O)c5ccccc5)[C@@H](OC(=O)c5ccccc5)[C@H]4OC(=O)c4ccccc4)c4cc(OC)ccc4OC)nn3)nn2)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 |r| Show InChI InChI=1S/C84H72N6O22/c1-99-61-38-40-65(101-3)63(43-61)69-73(109-81(95)53-28-15-7-16-29-53)75(111-83(97)55-32-19-9-20-33-55)71(107-79(93)51-24-11-5-12-25-51)67(105-69)47-89-45-59(85-87-89)49-103-77(91)57-36-23-37-58(42-57)78(92)104-50-60-46-90(88-86-60)48-68-72(108-80(94)52-26-13-6-14-27-52)76(112-84(98)56-34-21-10-22-35-56)74(110-82(96)54-30-17-8-18-31-54)70(106-68)64-44-62(100-2)39-41-66(64)102-4/h5-46,67-76H,47-50H2,1-4H3/t67-,68-,69+,70+,71+,72+,73+,74+,75+,76+/m1/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	880	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B catalytic domain				Bioorg Med Chem 16: 9757-63 (2008) Article DOI: 10.1016/j.bmc.2008.09.066 BindingDB Entry DOI: 10.7270/Q2G73DJN
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50245897 ((2S,3R,4R,5S,6S)-3,4,5-tris(benzoyloxy)-6-(1,4-dio...) Show SMILES OC(=O)[C@H]1O[C@H]([C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)C1=CC(=O)c2ccccc2C1=O |r,t:40| Show InChI InChI=1S/C37H26O11/c38-27-20-26(28(39)25-19-11-10-18-24(25)27)29-30(46-35(42)21-12-4-1-5-13-21)31(47-36(43)22-14-6-2-7-15-22)32(33(45-29)34(40)41)48-37(44)23-16-8-3-9-17-23/h1-20,29-33H,(H,40,41)/t29-,30-,31+,32+,33-/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	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of recombinant PTP1B				Bioorg Med Chem Lett 18: 6348-51 (2008) Article DOI: 10.1016/j.bmcl.2008.10.091 BindingDB Entry DOI: 10.7270/Q28W3F68
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM125938 (6-Methoxy-N,9-bis[ (1-{[(2R,3S,4S,5R,6S)-3,4,5-tri...) Show SMILES CO[C@H]1O[C@H](Cn2cc(CNc3nc(OC)c4ncn(Cc5cn(C[C@H]6O[C@H](OC)[C@H](OCc7ccccc7)[C@@H](OCc7ccccc7)[C@H]6OCc6ccccc6)nn5)c4n3)nn2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 Show InChI InChI=1S/C68H73N11O11/c1-80-65-57-64(77(46-70-57)35-54-37-79(76-74-54)39-56-59(84-41-48-24-12-5-13-25-48)61(86-43-50-28-16-7-17-29-50)63(67(82-3)90-56)88-45-52-32-20-9-21-33-52)71-68(72-65)69-34-53-36-78(75-73-53)38-55-58(83-40-47-22-10-4-11-23-47)60(85-42-49-26-14-6-15-27-49)62(66(81-2)89-55)87-44-51-30-18-8-19-31-51/h4-33,36-37,46,55-56,58-63,66-67H,34-35,38-45H2,1-3H3,(H,69,71,72)/t55-,56-,58+,59+,60+,61+,62-,63-,66+,67+/m1/s1	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	1.50E+3	n/a	n/a	n/a	n/a	6.5	n/a
East China University of Science and Technology					Assay Description Enzymatic activity of enzyme was evaluated using pNPP assay. Briefly, a reaction mixture (100 µL) containing 50 mM MOPS (pH 6.5), 2 mM pNPP and recom...				Chem Biodivers 8: 2035-44 (2011) Article DOI: 10.1002/cbdv.201000242 BindingDB Entry DOI: 10.7270/Q2668BVX
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM125935 (6-Chloro-N,9-bis[(1-{[(2R,3R,4S,5R,6S)-3,4,5-tris(...) Show SMILES CO[C@H]1O[C@H](Cn2cc(CNc3nc(Cl)c4ncn(Cc5cn(C[C@H]6O[C@H](OC)[C@H](OCc7ccccc7)[C@@H](OCc7ccccc7)[C@@H]6OCc6ccccc6)nn5)c4n3)nn2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 Show InChI InChI=1S/C67H70ClN11O10/c1-80-65-61(86-43-50-29-17-7-18-30-50)59(84-41-48-25-13-5-14-26-48)57(82-39-46-21-9-3-10-22-46)54(88-65)37-78-35-52(73-75-78)33-69-67-71-63(68)56-64(72-67)77(45-70-56)34-53-36-79(76-74-53)38-55-58(83-40-47-23-11-4-12-24-47)60(85-42-49-27-15-6-16-28-49)62(66(81-2)89-55)87-44-51-31-19-8-20-32-51/h3-32,35-36,45,54-55,57-62,65-66H,33-34,37-44H2,1-2H3,(H,69,71,72)/t54-,55-,57-,58-,59+,60+,61-,62-,65+,66+/m1/s1	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	2.20E+3	n/a	n/a	n/a	n/a	6.5	n/a
East China University of Science and Technology					Assay Description Enzymatic activity of enzyme was evaluated using pNPP assay. Briefly, a reaction mixture (100 µL) containing 50 mM MOPS (pH 6.5), 2 mM pNPP and recom...				Chem Biodivers 8: 2035-44 (2011) Article DOI: 10.1002/cbdv.201000242 BindingDB Entry DOI: 10.7270/Q2668BVX
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50245899 ((2R,3R,4R,5S,6S)-2-(azidomethyl)-6-(1,4-dimethoxyn...) Show SMILES COc1cc([C@@H]2O[C@H](CN=[N+]=[N-])[C@@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c(OC)c2ccccc12 |r| Show InChI InChI=1S/C39H33N3O9/c1-46-30-22-29(32(47-2)28-21-13-12-20-27(28)30)33-35(50-38(44)25-16-8-4-9-17-25)36(51-39(45)26-18-10-5-11-19-26)34(31(48-33)23-41-42-40)49-37(43)24-14-6-3-7-15-24/h3-22,31,33-36H,23H2,1-2H3/t31-,33+,34-,35+,36+/m1/s1	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	2.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of recombinant PTP1B				Bioorg Med Chem Lett 18: 6348-51 (2008) Article DOI: 10.1016/j.bmcl.2008.10.091 BindingDB Entry DOI: 10.7270/Q28W3F68
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50245898 (2-((((2R,3R,4R,5S,6S)-3,4,5-tris(benzoyloxy)-6-(2,...) Show SMILES COc1ccc(OC)c(c1)[C@@H]1O[C@H](CNC(=O)c2ccccc2C(O)=O)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 |r| Show InChI InChI=1S/C43H37NO12/c1-51-29-22-23-33(52-2)32(24-29)35-37(55-42(49)27-16-8-4-9-17-27)38(56-43(50)28-18-10-5-11-19-28)36(54-41(48)26-14-6-3-7-15-26)34(53-35)25-44-39(45)30-20-12-13-21-31(30)40(46)47/h3-24,34-38H,25H2,1-2H3,(H,44,45)(H,46,47)/t34-,35+,36-,37+,38+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.44E+3	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of recombinant PTP1B				Bioorg Med Chem Lett 18: 6348-51 (2008) Article DOI: 10.1016/j.bmcl.2008.10.091 BindingDB Entry DOI: 10.7270/Q28W3F68
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human))	BDBM125938 (6-Methoxy-N,9-bis[ (1-{[(2R,3S,4S,5R,6S)-3,4,5-tri...) Show SMILES CO[C@H]1O[C@H](Cn2cc(CNc3nc(OC)c4ncn(Cc5cn(C[C@H]6O[C@H](OC)[C@H](OCc7ccccc7)[C@@H](OCc7ccccc7)[C@H]6OCc6ccccc6)nn5)c4n3)nn2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 Show InChI InChI=1S/C68H73N11O11/c1-80-65-57-64(77(46-70-57)35-54-37-79(76-74-54)39-56-59(84-41-48-24-12-5-13-25-48)61(86-43-50-28-16-7-17-29-50)63(67(82-3)90-56)88-45-52-32-20-9-21-33-52)71-68(72-65)69-34-53-36-78(75-73-53)38-55-58(83-40-47-22-10-4-11-23-47)60(85-42-49-26-14-6-15-27-49)62(66(81-2)89-55)87-44-51-30-18-8-19-31-51/h4-33,36-37,46,55-56,58-63,66-67H,34-35,38-45H2,1-3H3,(H,69,71,72)/t55-,56-,58+,59+,60+,61+,62-,63-,66+,67+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	6.5	n/a
East China University of Science and Technology					Assay Description Enzymatic activity of enzyme was evaluated using pNPP assay. Briefly, a reaction mixture (100 µL) containing 50 mM MOPS (pH 6.5), 2 mM pNPP and recom...				Chem Biodivers 8: 2035-44 (2011) Article DOI: 10.1002/cbdv.201000242 BindingDB Entry DOI: 10.7270/Q2668BVX
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM125936 (6-Chloro-N,9-bis[(1-{[(2R,3S,4S,5R,6S)-3,4,5-tris(...) Show SMILES CO[C@H]1O[C@H](Cn2cc(CNc3nc(Cl)c4ncn(Cc5cn(C[C@H]6O[C@H](OC)[C@H](OCc7ccccc7)[C@@H](OCc7ccccc7)[C@H]6OCc6ccccc6)nn5)c4n3)nn2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 Show InChI InChI=1S/C67H70ClN11O10/c1-80-65-61(86-43-50-29-17-7-18-30-50)59(84-41-48-25-13-5-14-26-48)57(82-39-46-21-9-3-10-22-46)54(88-65)37-78-35-52(73-75-78)33-69-67-71-63(68)56-64(72-67)77(45-70-56)34-53-36-79(76-74-53)38-55-58(83-40-47-23-11-4-12-24-47)60(85-42-49-27-15-6-16-28-49)62(66(81-2)89-55)87-44-51-31-19-8-20-32-51/h3-32,35-36,45,54-55,57-62,65-66H,33-34,37-44H2,1-2H3,(H,69,71,72)/t54-,55-,57+,58+,59+,60+,61-,62-,65+,66+/m1/s1	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	3.20E+3	n/a	n/a	n/a	n/a	6.5	n/a
East China University of Science and Technology					Assay Description Enzymatic activity of enzyme was evaluated using pNPP assay. Briefly, a reaction mixture (100 µL) containing 50 mM MOPS (pH 6.5), 2 mM pNPP and recom...				Chem Biodivers 8: 2035-44 (2011) Article DOI: 10.1002/cbdv.201000242 BindingDB Entry DOI: 10.7270/Q2668BVX
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM124228 (Methyl 2,3,4-tri-O-benzyl-6-O-[1-(4- (carboxycarbo...) Show SMILES CO[C@H]1O[C@H](COCc2cn(nn2)-c2ccc(cc2)C(=O)C(O)=O)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 Show InChI InChI=1S/C39H39N3O9/c1-46-39-37(50-24-29-15-9-4-10-16-29)36(49-23-28-13-7-3-8-14-28)35(48-22-27-11-5-2-6-12-27)33(51-39)26-47-25-31-21-42(41-40-31)32-19-17-30(18-20-32)34(43)38(44)45/h2-21,33,35-37,39H,22-26H2,1H3,(H,44,45)/t33-,35-,36+,37-,39+/m1/s1	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	3.20E+3	n/a	n/a	n/a	n/a	n/a	30
East China University of Science and Technology					Assay Description The assay mixture (100 ??L) containing 50 mM MOPS (pH 6.5), 2 mM pNPP and PTP1B were monitored at 405 nm for 2 min at 30 ??C.				Carbohydr Res 346: 140-5 (2011) Article DOI: 10.1016/j.carres.2010.10.023 BindingDB Entry DOI: 10.7270/Q2T43RRJ
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50336340 (CHEMBL1667958 | Triazole tetra-benzyloxy-beta-D-O-...) Show SMILES OC(=O)[C@H](Cc1ccc(O)cc1)n1cc(CO[C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1 |r| Show InChI InChI=1S/C46H47N3O9/c50-39-23-21-33(22-24-39)25-40(45(51)52)49-26-38(47-48-49)31-57-46-44(56-30-37-19-11-4-12-20-37)43(55-29-36-17-9-3-10-18-36)42(54-28-35-15-7-2-8-16-35)41(58-46)32-53-27-34-13-5-1-6-14-34/h1-24,26,40-44,46,50H,25,27-32H2,(H,51,52)/t40-,41+,42+,43-,44+,46+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human CDC25B by pNPP hydrolysis assay				Bioorg Med Chem Lett 21: 1092-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.126 BindingDB Entry DOI: 10.7270/Q2D79BP8
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50245901 ((2S,3S,4S,5R,6R)-6-(benzamidomethyl)-2-(2,5-dimeth...) Show SMILES COc1ccc(OC)c(c1)[C@@H]1O[C@H](CNC(=O)c2ccccc2)[C@@H](O)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 |r| Show InChI InChI=1S/C35H33NO9/c1-41-25-18-19-27(42-2)26(20-25)30-32(45-35(40)24-16-10-5-11-17-24)31(44-34(39)23-14-8-4-9-15-23)29(37)28(43-30)21-36-33(38)22-12-6-3-7-13-22/h3-20,28-32,37H,21H2,1-2H3,(H,36,38)/t28-,29-,30+,31+,32+/m1/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	4.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of recombinant PTP1B				Bioorg Med Chem Lett 18: 6348-51 (2008) Article DOI: 10.1016/j.bmcl.2008.10.091 BindingDB Entry DOI: 10.7270/Q28W3F68
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50246114 ((2S,3S,4R,5R,6R)-5-acetoxy-6-(benzamidomethyl)-2-(...) Show SMILES COc1ccc(OC)c(c1)[C@@H]1O[C@H](CNC(=O)c2ccccc2)[C@@H](OC(C)=O)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 |r| Show InChI InChI=1S/C37H35NO10/c1-23(39)45-32-30(22-38-35(40)24-13-7-4-8-14-24)46-31(28-21-27(43-2)19-20-29(28)44-3)33(47-36(41)25-15-9-5-10-16-25)34(32)48-37(42)26-17-11-6-12-18-26/h4-21,30-34H,22H2,1-3H3,(H,38,40)/t30-,31+,32-,33+,34+/m1/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	4.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of recombinant PTP1B				Bioorg Med Chem Lett 18: 6348-51 (2008) Article DOI: 10.1016/j.bmcl.2008.10.091 BindingDB Entry DOI: 10.7270/Q28W3F68
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50273791 (Acetic acid (2R,3R,4R,5S,6S)-3,4,5-triacetoxy-6-(3...) Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)C1=CC(=O)C=CC1=O |r,c:28,t:24| Show InChI InChI=1S/C20H22O11/c1-9(21)27-8-16-18(28-10(2)22)20(30-12(4)24)19(29-11(3)23)17(31-16)14-7-13(25)5-6-15(14)26/h5-7,16-20H,8H2,1-4H3/t16-,17+,18-,19+,20+/m1/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	4.85E+3	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of recombinant PTP1B				Bioorg Med Chem Lett 18: 6348-51 (2008) Article DOI: 10.1016/j.bmcl.2008.10.091 BindingDB Entry DOI: 10.7270/Q28W3F68
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50273791 (Acetic acid (2R,3R,4R,5S,6S)-3,4,5-triacetoxy-6-(3...) Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)C1=CC(=O)C=CC1=O |r,c:28,t:24| Show InChI InChI=1S/C20H22O11/c1-9(21)27-8-16-18(28-10(2)22)20(30-12(4)24)19(29-11(3)23)17(31-16)14-7-13(25)5-6-15(14)26/h5-7,16-20H,8H2,1-4H3/t16-,17+,18-,19+,20+/m1/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	4.85E+3	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B catalytic domain				Bioorg Med Chem 16: 9757-63 (2008) Article DOI: 10.1016/j.bmc.2008.09.066 BindingDB Entry DOI: 10.7270/Q2G73DJN
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50336339 ((S)-3-phenyl-2-(4-(((2R,3R,4S,5R,6R)-3,4,5-tris(be...) Show SMILES OC(=O)[C@H](Cc1ccccc1)n1cc(CO[C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1 |r| Show InChI InChI=1S/C46H47N3O8/c50-45(51)40(26-34-16-6-1-7-17-34)49-27-39(47-48-49)32-56-46-44(55-31-38-24-14-5-15-25-38)43(54-30-37-22-12-4-13-23-37)42(53-29-36-20-10-3-11-21-36)41(57-46)33-52-28-35-18-8-2-9-19-35/h1-25,27,40-44,46H,26,28-33H2,(H,50,51)/t40-,41+,42+,43-,44+,46+/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	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B by pNPP hydrolysis assay				Bioorg Med Chem Lett 21: 1092-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.126 BindingDB Entry DOI: 10.7270/Q2D79BP8
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50246115 ((2S,3S,4S,5R,6R)-6-(benzamidomethyl)-2-(3,6-dioxoc...) Show SMILES O[C@@H]1[C@@H](CNC(=O)c2ccccc2)O[C@H]([C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)C1=CC(=O)C=CC1=O |r,c:43,t:39| Show InChI InChI=1S/C33H27NO9/c35-23-16-17-25(36)24(18-23)28-30(43-33(40)22-14-8-3-9-15-22)29(42-32(39)21-12-6-2-7-13-21)27(37)26(41-28)19-34-31(38)20-10-4-1-5-11-20/h1-18,26-30,37H,19H2,(H,34,38)/t26-,27-,28+,29+,30+/m1/s1	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	5.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of recombinant PTP1B				Bioorg Med Chem Lett 18: 6348-51 (2008) Article DOI: 10.1016/j.bmcl.2008.10.091 BindingDB Entry DOI: 10.7270/Q28W3F68
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM124232 (1-(4-(Carboxycarbonyl)phenyl)-1H-1,2,3-triazol-4- ...) Show SMILES OC(=O)C(=O)c1ccc(cc1)-n1cc(CO[C@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1 Show InChI InChI=1S/C45H43N3O9/c49-40(44(50)51)36-21-23-38(24-22-36)48-25-37(46-47-48)30-56-45-43(55-29-35-19-11-4-12-20-35)42(54-28-34-17-9-3-10-18-34)41(53-27-33-15-7-2-8-16-33)39(57-45)31-52-26-32-13-5-1-6-14-32/h1-25,39,41-43,45H,26-31H2,(H,50,51)/t39-,41-,42+,43-,45+/m1/s1	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	5.60E+3	n/a	n/a	n/a	n/a	n/a	30
East China University of Science and Technology					Assay Description The assay mixture (100 ??L) containing 50 mM MOPS (pH 6.5), 2 mM pNPP and PTP1B were monitored at 405 nm for 2 min at 30 ??C.				Carbohydr Res 346: 140-5 (2011) Article DOI: 10.1016/j.carres.2010.10.023 BindingDB Entry DOI: 10.7270/Q2T43RRJ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50347243 (CHEMBL1795950) Show SMILES CC(C)(C)OC(=O)N[C@@H](COCc1cn(nn1)[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C45H52N4O10/c1-45(2,3)59-44(52)46-37(43(50)51)30-54-29-36-24-49(48-47-36)42-41(57-28-35-22-14-7-15-23-35)40(56-27-34-20-12-6-13-21-34)39(55-26-33-18-10-5-11-19-33)38(58-42)31-53-25-32-16-8-4-9-17-32/h4-24,37-42H,25-31H2,1-3H3,(H,46,52)(H,50,51)/t37-,38+,39+,40-,41+,42+/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	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant PTB1B catalytic domain using pNPP substrate				Bioorg Med Chem 19: 3892-900 (2011) Article DOI: 10.1016/j.bmc.2011.05.049 BindingDB Entry DOI: 10.7270/Q2RJ4JTV
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50347243 (CHEMBL1795950) Show SMILES CC(C)(C)OC(=O)N[C@@H](COCc1cn(nn1)[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C45H52N4O10/c1-45(2,3)59-44(52)46-37(43(50)51)30-54-29-36-24-49(48-47-36)42-41(57-28-35-22-14-7-15-23-35)40(56-27-34-20-12-6-13-21-34)39(55-26-33-18-10-5-11-19-33)38(58-42)31-53-25-32-16-8-4-9-17-32/h4-24,37-42H,25-31H2,1-3H3,(H,46,52)(H,50,51)/t37-,38+,39+,40-,41+,42+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human Cdc25B				Bioorg Med Chem 19: 3892-900 (2011) Article DOI: 10.1016/j.bmc.2011.05.049 BindingDB Entry DOI: 10.7270/Q2RJ4JTV
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human))	BDBM124232 (1-(4-(Carboxycarbonyl)phenyl)-1H-1,2,3-triazol-4- ...) Show SMILES OC(=O)C(=O)c1ccc(cc1)-n1cc(CO[C@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1 Show InChI InChI=1S/C45H43N3O9/c49-40(44(50)51)36-21-23-38(24-22-36)48-25-37(46-47-48)30-56-45-43(55-29-35-19-11-4-12-20-35)42(54-28-34-17-9-3-10-18-34)41(53-27-33-15-7-2-8-16-33)39(57-45)31-52-26-32-13-5-1-6-14-32/h1-25,39,41-43,45H,26-31H2,(H,50,51)/t39-,41-,42+,43-,45+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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	n/a	30
East China University of Science and Technology					Assay Description The assay mixture (100 ??L) containing 50 mM MOPS (pH 6.5), 2 mM pNPP and PTP1B were monitored at 405 nm for 2 min at 30 ??C.				Carbohydr Res 346: 140-5 (2011) Article DOI: 10.1016/j.carres.2010.10.023 BindingDB Entry DOI: 10.7270/Q2T43RRJ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50351999 (CHEMBL1822607) Show SMILES CO[C@H]1O[C@H](COCc2cn(CCCCCOc3ccc(O)c(c3)C(O)=O)nn2)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 |r| Show InChI InChI=1S/C43H43N3O13/c1-53-43-38(59-42(52)30-18-10-4-11-19-30)37(58-41(51)29-16-8-3-9-17-29)36(57-40(50)28-14-6-2-7-15-28)35(56-43)27-54-26-31-25-46(45-44-31)22-12-5-13-23-55-32-20-21-34(47)33(24-32)39(48)49/h2-4,6-11,14-21,24-25,35-38,43,47H,5,12-13,22-23,26-27H2,1H3,(H,48,49)/t35-,36-,37+,38-,43+/m1/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	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B expressed in CHO cells assessed as p-nitorphenol production after 2 mins by microplate reader				Eur J Med Chem 46: 4212-8 (2011) Article DOI: 10.1016/j.ejmech.2011.06.025 BindingDB Entry DOI: 10.7270/Q2FT8MDS
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50336341 (CHEMBL1667959 | Triazole tetra-benzyloxy-beta-D-O-...) Show SMILES OC(=O)[C@H](Cc1ccccc1)n1cc(CO[C@@H]2O[C@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1 |r| Show InChI InChI=1S/C46H47N3O8/c50-45(51)40(26-34-16-6-1-7-17-34)49-27-39(47-48-49)32-56-46-44(55-31-38-24-14-5-15-25-38)43(54-30-37-22-12-4-13-23-37)42(53-29-36-20-10-3-11-21-36)41(57-46)33-52-28-35-18-8-2-9-19-35/h1-25,27,40-44,46H,26,28-33H2,(H,50,51)/t40-,41+,42-,43-,44+,46+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human CDC25B by pNPP hydrolysis assay				Bioorg Med Chem Lett 21: 1092-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.126 BindingDB Entry DOI: 10.7270/Q2D79BP8
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50336341 (CHEMBL1667959 | Triazole tetra-benzyloxy-beta-D-O-...) Show SMILES OC(=O)[C@H](Cc1ccccc1)n1cc(CO[C@@H]2O[C@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1 |r| Show InChI InChI=1S/C46H47N3O8/c50-45(51)40(26-34-16-6-1-7-17-34)49-27-39(47-48-49)32-56-46-44(55-31-38-24-14-5-15-25-38)43(54-30-37-22-12-4-13-23-37)42(53-29-36-20-10-3-11-21-36)41(57-46)33-52-28-35-18-8-2-9-19-35/h1-25,27,40-44,46H,26,28-33H2,(H,50,51)/t40-,41+,42-,43-,44+,46+/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	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B by pNPP hydrolysis assay				Bioorg Med Chem Lett 21: 1092-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.126 BindingDB Entry DOI: 10.7270/Q2D79BP8
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50347244 (CHEMBL1795951) Show SMILES C[C@H](OCc1cn(nn1)[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(O)=O |r| Show InChI InChI=1S/C46H54N4O10/c1-32(39(44(51)52)47-45(53)60-46(2,3)4)55-30-37-25-50(49-48-37)43-42(58-29-36-23-15-8-16-24-36)41(57-28-35-21-13-7-14-22-35)40(56-27-34-19-11-6-12-20-34)38(59-43)31-54-26-33-17-9-5-10-18-33/h5-25,32,38-43H,26-31H2,1-4H3,(H,47,53)(H,51,52)/t32-,38+,39-,40+,41-,42+,43+/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	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant PTB1B catalytic domain using pNPP substrate				Bioorg Med Chem 19: 3892-900 (2011) Article DOI: 10.1016/j.bmc.2011.05.049 BindingDB Entry DOI: 10.7270/Q2RJ4JTV
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM125931 (Methyl 6-{4-[(2-Amino-6-chloro-9H-purin-9-yl)methy...) Show SMILES CO[C@H]1O[C@H](Cn2cc(Cn3cnc4c(Cl)nc(N)nc34)nn2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 Show InChI InChI=1S/C36H37ClN8O5/c1-46-35-32(49-22-26-15-9-4-10-16-26)31(48-21-25-13-7-3-8-14-25)30(47-20-24-11-5-2-6-12-24)28(50-35)19-45-18-27(42-43-45)17-44-23-39-29-33(37)40-36(38)41-34(29)44/h2-16,18,23,28,30-32,35H,17,19-22H2,1H3,(H2,38,40,41)/t28-,30-,31+,32-,35+/m1/s1	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	7.20E+3	n/a	n/a	n/a	n/a	6.5	n/a
East China University of Science and Technology					Assay Description Enzymatic activity of enzyme was evaluated using pNPP assay. Briefly, a reaction mixture (100 µL) containing 50 mM MOPS (pH 6.5), 2 mM pNPP and recom...				Chem Biodivers 8: 2035-44 (2011) Article DOI: 10.1002/cbdv.201000242 BindingDB Entry DOI: 10.7270/Q2668BVX
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human))	BDBM50336339 ((S)-3-phenyl-2-(4-(((2R,3R,4S,5R,6R)-3,4,5-tris(be...) Show SMILES OC(=O)[C@H](Cc1ccccc1)n1cc(CO[C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1 |r| Show InChI InChI=1S/C46H47N3O8/c50-45(51)40(26-34-16-6-1-7-17-34)49-27-39(47-48-49)32-56-46-44(55-31-38-24-14-5-15-25-38)43(54-30-37-22-12-4-13-23-37)42(53-29-36-20-10-3-11-21-36)41(57-46)33-52-28-35-18-8-2-9-19-35/h1-25,27,40-44,46H,26,28-33H2,(H,50,51)/t40-,41+,42+,43-,44+,46+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human TCPTP by pNPP hydrolysis assay				Bioorg Med Chem Lett 21: 1092-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.126 BindingDB Entry DOI: 10.7270/Q2D79BP8
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM125937 (6-Methoxy-N,9-bis[(1-{[(2R,3R,4S,5R,6S)-3,4,5-tris...) Show SMILES CO[C@H]1O[C@H](Cn2cc(CNc3nc(OC)c4ncn(Cc5cn(C[C@H]6O[C@H](OC)[C@H](OCc7ccccc7)[C@@H](OCc7ccccc7)[C@@H]6OCc6ccccc6)nn5)c4n3)nn2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 Show InChI InChI=1S/C68H73N11O11/c1-80-65-57-64(77(46-70-57)35-54-37-79(76-74-54)39-56-59(84-41-48-24-12-5-13-25-48)61(86-43-50-28-16-7-17-29-50)63(67(82-3)90-56)88-45-52-32-20-9-21-33-52)71-68(72-65)69-34-53-36-78(75-73-53)38-55-58(83-40-47-22-10-4-11-23-47)60(85-42-49-26-14-6-15-27-49)62(66(81-2)89-55)87-44-51-30-18-8-19-31-51/h4-33,36-37,46,55-56,58-63,66-67H,34-35,38-45H2,1-3H3,(H,69,71,72)/t55-,56-,58-,59-,60+,61+,62-,63-,66+,67+/m1/s1	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	7.90E+3	n/a	n/a	n/a	n/a	6.5	n/a
East China University of Science and Technology					Assay Description Enzymatic activity of enzyme was evaluated using pNPP assay. Briefly, a reaction mixture (100 µL) containing 50 mM MOPS (pH 6.5), 2 mM pNPP and recom...				Chem Biodivers 8: 2035-44 (2011) Article DOI: 10.1002/cbdv.201000242 BindingDB Entry DOI: 10.7270/Q2668BVX
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50347247 (CHEMBL1795948) Show SMILES CO[C@H]1O[C@H](Cn2cc(COC[C@H](NC(=O)OC(C)(C)C)C(O)=O)nn2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 |r| Show InChI InChI=1S/C39H48N4O10/c1-39(2,3)53-38(46)40-31(36(44)45)26-48-25-30-20-43(42-41-30)21-32-33(49-22-27-14-8-5-9-15-27)34(50-23-28-16-10-6-11-17-28)35(37(47-4)52-32)51-24-29-18-12-7-13-19-29/h5-20,31-35,37H,21-26H2,1-4H3,(H,40,46)(H,44,45)/t31-,32+,33+,34-,35-,37-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human Cdc25B				Bioorg Med Chem 19: 3892-900 (2011) Article DOI: 10.1016/j.bmc.2011.05.049 BindingDB Entry DOI: 10.7270/Q2RJ4JTV
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50336340 (CHEMBL1667958 | Triazole tetra-benzyloxy-beta-D-O-...) Show SMILES OC(=O)[C@H](Cc1ccc(O)cc1)n1cc(CO[C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1 |r| Show InChI InChI=1S/C46H47N3O9/c50-39-23-21-33(22-24-39)25-40(45(51)52)49-26-38(47-48-49)31-57-46-44(56-30-37-19-11-4-12-20-37)43(55-29-36-17-9-3-10-18-36)42(54-28-35-15-7-2-8-16-35)41(58-46)32-53-27-34-13-5-1-6-14-34/h1-24,26,40-44,46,50H,25,27-32H2,(H,51,52)/t40-,41+,42+,43-,44+,46+/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	8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B by pNPP hydrolysis assay				Bioorg Med Chem Lett 21: 1092-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.126 BindingDB Entry DOI: 10.7270/Q2D79BP8
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50351998 (CHEMBL1822606) Show SMILES CO[C@H]1O[C@H](COCc2cn(CCCCOc3ccc(O)c(c3)C(O)=O)nn2)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 |r| Show InChI InChI=1S/C42H41N3O13/c1-52-42-37(58-41(51)29-17-9-4-10-18-29)36(57-40(50)28-15-7-3-8-16-28)35(56-39(49)27-13-5-2-6-14-27)34(55-42)26-53-25-30-24-45(44-43-30)21-11-12-22-54-31-19-20-33(46)32(23-31)38(47)48/h2-10,13-20,23-24,34-37,42,46H,11-12,21-22,25-26H2,1H3,(H,47,48)/t34-,35-,36+,37-,42+/m1/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	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B expressed in CHO cells assessed as p-nitorphenol production after 2 mins by microplate reader				Eur J Med Chem 46: 4212-8 (2011) Article DOI: 10.1016/j.ejmech.2011.06.025 BindingDB Entry DOI: 10.7270/Q2FT8MDS
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50336339 ((S)-3-phenyl-2-(4-(((2R,3R,4S,5R,6R)-3,4,5-tris(be...) Show SMILES OC(=O)[C@H](Cc1ccccc1)n1cc(CO[C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1 |r| Show InChI InChI=1S/C46H47N3O8/c50-45(51)40(26-34-16-6-1-7-17-34)49-27-39(47-48-49)32-56-46-44(55-31-38-24-14-5-15-25-38)43(54-30-37-22-12-4-13-23-37)42(53-29-36-20-10-3-11-21-36)41(57-46)33-52-28-35-18-8-2-9-19-35/h1-25,27,40-44,46H,26,28-33H2,(H,50,51)/t40-,41+,42+,43-,44+,46+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human CDC25B by pNPP hydrolysis assay				Bioorg Med Chem Lett 21: 1092-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.126 BindingDB Entry DOI: 10.7270/Q2D79BP8
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human))	BDBM125935 (6-Chloro-N,9-bis[(1-{[(2R,3R,4S,5R,6S)-3,4,5-tris(...) Show SMILES CO[C@H]1O[C@H](Cn2cc(CNc3nc(Cl)c4ncn(Cc5cn(C[C@H]6O[C@H](OC)[C@H](OCc7ccccc7)[C@@H](OCc7ccccc7)[C@@H]6OCc6ccccc6)nn5)c4n3)nn2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 Show InChI InChI=1S/C67H70ClN11O10/c1-80-65-61(86-43-50-29-17-7-18-30-50)59(84-41-48-25-13-5-14-26-48)57(82-39-46-21-9-3-10-22-46)54(88-65)37-78-35-52(73-75-78)33-69-67-71-63(68)56-64(72-67)77(45-70-56)34-53-36-79(76-74-53)38-55-58(83-40-47-23-11-4-12-24-47)60(85-42-49-27-15-6-16-28-49)62(66(81-2)89-55)87-44-51-31-19-8-20-32-51/h3-32,35-36,45,54-55,57-62,65-66H,33-34,37-44H2,1-2H3,(H,69,71,72)/t54-,55-,57-,58-,59+,60+,61-,62-,65+,66+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	6.5	n/a
East China University of Science and Technology					Assay Description Enzymatic activity of enzyme was evaluated using pNPP assay. Briefly, a reaction mixture (100 µL) containing 50 mM MOPS (pH 6.5), 2 mM pNPP and recom...				Chem Biodivers 8: 2035-44 (2011) Article DOI: 10.1002/cbdv.201000242 BindingDB Entry DOI: 10.7270/Q2668BVX
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM125932 (Methyl 6-{4-[(2-Amino-6-chloro-9H-purin-9-yl)methy...) Show SMILES CO[C@H]1O[C@H](Cn2cc(Cn3cnc4c(Cl)nc(N)nc34)nn2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 Show InChI InChI=1S/C36H37ClN8O5/c1-46-35-32(49-22-26-15-9-4-10-16-26)31(48-21-25-13-7-3-8-14-25)30(47-20-24-11-5-2-6-12-24)28(50-35)19-45-18-27(42-43-45)17-44-23-39-29-33(37)40-36(38)41-34(29)44/h2-16,18,23,28,30-32,35H,17,19-22H2,1H3,(H2,38,40,41)/t28-,30+,31+,32-,35+/m1/s1	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	1.11E+4	n/a	n/a	n/a	n/a	6.5	n/a
East China University of Science and Technology					Assay Description Enzymatic activity of enzyme was evaluated using pNPP assay. Briefly, a reaction mixture (100 µL) containing 50 mM MOPS (pH 6.5), 2 mM pNPP and recom...				Chem Biodivers 8: 2035-44 (2011) Article DOI: 10.1002/cbdv.201000242 BindingDB Entry DOI: 10.7270/Q2668BVX
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM124231 (1-(4-Carboxyphenyl)-1H-1,2,3-triazol-4-ylmethyl 2,...) Show SMILES OC(=O)c1ccc(cc1)-n1cc(CO[C@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1 Show InChI InChI=1S/C44H43N3O8/c48-43(49)36-21-23-38(24-22-36)47-25-37(45-46-47)30-54-44-42(53-29-35-19-11-4-12-20-35)41(52-28-34-17-9-3-10-18-34)40(51-27-33-15-7-2-8-16-33)39(55-44)31-50-26-32-13-5-1-6-14-32/h1-25,39-42,44H,26-31H2,(H,48,49)/t39-,40-,41+,42-,44+/m1/s1	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	1.11E+4	n/a	n/a	n/a	n/a	n/a	30
East China University of Science and Technology					Assay Description The assay mixture (100 ??L) containing 50 mM MOPS (pH 6.5), 2 mM pNPP and PTP1B were monitored at 405 nm for 2 min at 30 ??C.				Carbohydr Res 346: 140-5 (2011) Article DOI: 10.1016/j.carres.2010.10.023 BindingDB Entry DOI: 10.7270/Q2T43RRJ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50336332 (CHEMBL1667960 | Triazole tetra-benzyloxy-beta-D-O-...) Show SMILES OC(=O)[C@H](Cc1ccc(O)cc1)n1cc(CO[C@@H]2O[C@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1 |r| Show InChI InChI=1S/C46H47N3O9/c50-39-23-21-33(22-24-39)25-40(45(51)52)49-26-38(47-48-49)31-57-46-44(56-30-37-19-11-4-12-20-37)43(55-29-36-17-9-3-10-18-36)42(54-28-35-15-7-2-8-16-35)41(58-46)32-53-27-34-13-5-1-6-14-34/h1-24,26,40-44,46,50H,25,27-32H2,(H,51,52)/t40-,41+,42-,43-,44+,46+/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	1.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B by pNPP hydrolysis assay				Bioorg Med Chem Lett 21: 1092-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.126 BindingDB Entry DOI: 10.7270/Q2D79BP8
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50347244 (CHEMBL1795951) Show SMILES C[C@H](OCc1cn(nn1)[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(O)=O |r| Show InChI InChI=1S/C46H54N4O10/c1-32(39(44(51)52)47-45(53)60-46(2,3)4)55-30-37-25-50(49-48-37)43-42(58-29-36-23-15-8-16-24-36)41(57-28-35-21-13-7-14-22-35)40(56-27-34-19-11-6-12-20-34)38(59-43)31-54-26-33-17-9-5-10-18-33/h5-25,32,38-43H,26-31H2,1-4H3,(H,47,53)(H,51,52)/t32-,38+,39-,40+,41-,42+,43+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human Cdc25B				Bioorg Med Chem 19: 3892-900 (2011) Article DOI: 10.1016/j.bmc.2011.05.049 BindingDB Entry DOI: 10.7270/Q2RJ4JTV
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50336332 (CHEMBL1667960 | Triazole tetra-benzyloxy-beta-D-O-...) Show SMILES OC(=O)[C@H](Cc1ccc(O)cc1)n1cc(CO[C@@H]2O[C@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1 |r| Show InChI InChI=1S/C46H47N3O9/c50-39-23-21-33(22-24-39)25-40(45(51)52)49-26-38(47-48-49)31-57-46-44(56-30-37-19-11-4-12-20-37)43(55-29-36-17-9-3-10-18-36)42(54-28-35-15-7-2-8-16-35)41(58-46)32-53-27-34-13-5-1-6-14-34/h1-24,26,40-44,46,50H,25,27-32H2,(H,51,52)/t40-,41+,42-,43-,44+,46+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.19E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human CDC25B by pNPP hydrolysis assay				Bioorg Med Chem Lett 21: 1092-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.126 BindingDB Entry DOI: 10.7270/Q2D79BP8
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50347242 (CHEMBL1795949) Show SMILES CO[C@H]1O[C@H](Cn2cc(CO[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(O)=O)nn2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 |r| Show InChI InChI=1S/C40H50N4O10/c1-27(33(37(45)46)41-39(47)54-40(2,3)4)49-26-31-21-44(43-42-31)22-32-34(50-23-28-15-9-6-10-16-28)35(51-24-29-17-11-7-12-18-29)36(38(48-5)53-32)52-25-30-19-13-8-14-20-30/h6-21,27,32-36,38H,22-26H2,1-5H3,(H,41,47)(H,45,46)/t27-,32+,33-,34+,35-,36-,38-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.22E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human Cdc25B				Bioorg Med Chem 19: 3892-900 (2011) Article DOI: 10.1016/j.bmc.2011.05.049 BindingDB Entry DOI: 10.7270/Q2RJ4JTV
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM124230 (1-(4-(2-Methoxy-2-oxoacetyl)phenyl)-1H-1,2,3-triaz...) Show SMILES COC(=O)C(=O)c1ccc(cc1)-n1cc(CO[C@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1 Show InChI InChI=1S/C46H45N3O9/c1-52-45(51)41(50)37-22-24-39(25-23-37)49-26-38(47-48-49)31-57-46-44(56-30-36-20-12-5-13-21-36)43(55-29-35-18-10-4-11-19-35)42(54-28-34-16-8-3-9-17-34)40(58-46)32-53-27-33-14-6-2-7-15-33/h2-26,40,42-44,46H,27-32H2,1H3/t40-,42-,43+,44-,46+/m1/s1	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	1.23E+4	n/a	n/a	n/a	n/a	n/a	30
East China University of Science and Technology					Assay Description The assay mixture (100 ??L) containing 50 mM MOPS (pH 6.5), 2 mM pNPP and PTP1B were monitored at 405 nm for 2 min at 30 ??C.				Carbohydr Res 346: 140-5 (2011) Article DOI: 10.1016/j.carres.2010.10.023 BindingDB Entry DOI: 10.7270/Q2T43RRJ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human))	BDBM50347243 (CHEMBL1795950) Show SMILES CC(C)(C)OC(=O)N[C@@H](COCc1cn(nn1)[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C45H52N4O10/c1-45(2,3)59-44(52)46-37(43(50)51)30-54-29-36-24-49(48-47-36)42-41(57-28-35-22-14-7-15-23-35)40(56-27-34-20-12-6-13-21-34)39(55-26-33-18-10-5-11-19-33)38(58-42)31-53-25-32-16-8-4-9-17-32/h4-24,37-42H,25-31H2,1-3H3,(H,46,52)(H,50,51)/t37-,38+,39+,40-,41+,42+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of TCPTP				Bioorg Med Chem 19: 3892-900 (2011) Article DOI: 10.1016/j.bmc.2011.05.049 BindingDB Entry DOI: 10.7270/Q2RJ4JTV
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human))	BDBM50336341 (CHEMBL1667959 | Triazole tetra-benzyloxy-beta-D-O-...) Show SMILES OC(=O)[C@H](Cc1ccccc1)n1cc(CO[C@@H]2O[C@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1 |r| Show InChI InChI=1S/C46H47N3O8/c50-45(51)40(26-34-16-6-1-7-17-34)49-27-39(47-48-49)32-56-46-44(55-31-38-24-14-5-15-25-38)43(54-30-37-22-12-4-13-23-37)42(53-29-36-20-10-3-11-21-36)41(57-46)33-52-28-35-18-8-2-9-19-35/h1-25,27,40-44,46H,26,28-33H2,(H,50,51)/t40-,41+,42-,43-,44+,46+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human TCPTP by pNPP hydrolysis assay				Bioorg Med Chem Lett 21: 1092-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.126 BindingDB Entry DOI: 10.7270/Q2D79BP8
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM124226 (Methyl 2,3,4-tri-O-benzyl-6-O-[1-(4-(2-methoxy-2- ...) Show SMILES CO[C@H]1O[C@H](COCc2cn(nn2)-c2ccc(cc2)C(=O)C(=O)OC)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 Show InChI InChI=1S/C40H41N3O9/c1-46-39(45)35(44)31-18-20-33(21-19-31)43-22-32(41-42-43)26-48-27-34-36(49-23-28-12-6-3-7-13-28)37(50-24-29-14-8-4-9-15-29)38(40(47-2)52-34)51-25-30-16-10-5-11-17-30/h3-22,34,36-38,40H,23-27H2,1-2H3/t34-,36-,37+,38-,40+/m1/s1	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	1.27E+4	n/a	n/a	n/a	n/a	n/a	30
East China University of Science and Technology					Assay Description The assay mixture (100 ??L) containing 50 mM MOPS (pH 6.5), 2 mM pNPP and PTP1B were monitored at 405 nm for 2 min at 30 ??C.				Carbohydr Res 346: 140-5 (2011) Article DOI: 10.1016/j.carres.2010.10.023 BindingDB Entry DOI: 10.7270/Q2T43RRJ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human))	BDBM124228 (Methyl 2,3,4-tri-O-benzyl-6-O-[1-(4- (carboxycarbo...) Show SMILES CO[C@H]1O[C@H](COCc2cn(nn2)-c2ccc(cc2)C(=O)C(O)=O)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 Show InChI InChI=1S/C39H39N3O9/c1-46-39-37(50-24-29-15-9-4-10-16-29)36(49-23-28-13-7-3-8-14-28)35(48-22-27-11-5-2-6-12-27)33(51-39)26-47-25-31-21-42(41-40-31)32-19-17-30(18-20-32)34(43)38(44)45/h2-21,33,35-37,39H,22-26H2,1H3,(H,44,45)/t33-,35-,36+,37-,39+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.45E+4	n/a	n/a	n/a	n/a	n/a	30
East China University of Science and Technology					Assay Description The assay mixture (100 ??L) containing 50 mM MOPS (pH 6.5), 2 mM pNPP and PTP1B were monitored at 405 nm for 2 min at 30 ??C.				Carbohydr Res 346: 140-5 (2011) Article DOI: 10.1016/j.carres.2010.10.023 BindingDB Entry DOI: 10.7270/Q2T43RRJ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50347246 (CHEMBL1795947) Show SMILES CO[C@H]1O[C@H](Cn2cc(CO[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(O)=O)nn2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 |r| Show InChI InChI=1S/C40H50N4O10/c1-27(33(37(45)46)41-39(47)54-40(2,3)4)49-26-31-21-44(43-42-31)22-32-34(50-23-28-15-9-6-10-16-28)35(51-24-29-17-11-7-12-18-29)36(38(48-5)53-32)52-25-30-19-13-8-14-20-30/h6-21,27,32-36,38H,22-26H2,1-5H3,(H,41,47)(H,45,46)/t27-,32+,33-,34-,35-,36+,38-/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	1.53E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant PTB1B catalytic domain using pNPP substrate				Bioorg Med Chem 19: 3892-900 (2011) Article DOI: 10.1016/j.bmc.2011.05.049 BindingDB Entry DOI: 10.7270/Q2RJ4JTV
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50336339 ((S)-3-phenyl-2-(4-(((2R,3R,4S,5R,6R)-3,4,5-tris(be...) Show SMILES OC(=O)[C@H](Cc1ccccc1)n1cc(CO[C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1 |r| Show InChI InChI=1S/C46H47N3O8/c50-45(51)40(26-34-16-6-1-7-17-34)49-27-39(47-48-49)32-56-46-44(55-31-38-24-14-5-15-25-38)43(54-30-37-22-12-4-13-23-37)42(53-29-36-20-10-3-11-21-36)41(57-46)33-52-28-35-18-8-2-9-19-35/h1-25,27,40-44,46H,26,28-33H2,(H,50,51)/t40-,41+,42+,43-,44+,46+/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	1.57E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human SHP2 by pNPP hydrolysis assay				Bioorg Med Chem Lett 21: 1092-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.126 BindingDB Entry DOI: 10.7270/Q2D79BP8
					More data for this Ligand-Target Pair

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