Compile Data Set for Download or QSAR

Found 104 hits Enz. Inhib. hit(s) with all data for entry = 50005064   

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))	BDBM50487805 (CHEMBL2262828) Show SMILES CC1(C)CC[C@]2(CCCCC(=O)NC(Cc3ccccc3)C(O)=O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OCc6ccc(cc6)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1 |r,c:29| Show InChI InChI=1S/C51H71NO6/c1-46(2)27-29-51(24-12-11-15-43(53)52-39(45(56)57)31-34-13-9-8-10-14-34)30-28-49(6)37(38(51)32-46)20-21-41-48(5)25-23-42(47(3,4)40(48)22-26-50(41,49)7)58-33-35-16-18-36(19-17-35)44(54)55/h8-10,13-14,16-20,38-42H,11-12,15,21-33H2,1-7H3,(H,52,53)(H,54,55)(H,56,57)/t38-,39?,40-,41+,42-,48-,49+,50+,51+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PTP1B (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-010-9529-5 BindingDB Entry DOI: 10.7270/Q2F76GFZ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50487805 (CHEMBL2262828) Show SMILES CC1(C)CC[C@]2(CCCCC(=O)NC(Cc3ccccc3)C(O)=O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OCc6ccc(cc6)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1 |r,c:29| Show InChI InChI=1S/C51H71NO6/c1-46(2)27-29-51(24-12-11-15-43(53)52-39(45(56)57)31-34-13-9-8-10-14-34)30-28-49(6)37(38(51)32-46)20-21-41-48(5)25-23-42(47(3,4)40(48)22-26-50(41,49)7)58-33-35-16-18-36(19-17-35)44(54)55/h8-10,13-14,16-20,38-42H,11-12,15,21-33H2,1-7H3,(H,52,53)(H,54,55)(H,56,57)/t38-,39?,40-,41+,42-,48-,49+,50+,51+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PTP1B (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-010-9529-5 BindingDB Entry DOI: 10.7270/Q2F76GFZ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50487800 (CHEMBL2262836) Show SMILES CC1(C)CC[C@]2(CC(=O)NC(Cc3ccc4OCOc4c3)C(O)=O)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]2C1 |r,c:30| Show InChI InChI=1S/C41H59NO6/c1-36(2)16-18-41(23-34(44)42-28(35(45)46)20-25-8-10-29-30(21-25)48-24-47-29)19-17-39(6)26(27(41)22-36)9-11-32-38(5)14-13-33(43)37(3,4)31(38)12-15-40(32,39)7/h8-10,21,27-28,31-33,43H,11-20,22-24H2,1-7H3,(H,42,44)(H,45,46)/t27-,28?,31-,32+,33-,38-,39+,40+,41+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PTP1B (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-010-9529-5 BindingDB Entry DOI: 10.7270/Q2F76GFZ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50487800 (CHEMBL2262836) Show SMILES CC1(C)CC[C@]2(CC(=O)NC(Cc3ccc4OCOc4c3)C(O)=O)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]2C1 |r,c:30| Show InChI InChI=1S/C41H59NO6/c1-36(2)16-18-41(23-34(44)42-28(35(45)46)20-25-8-10-29-30(21-25)48-24-47-29)19-17-39(6)26(27(41)22-36)9-11-32-38(5)14-13-33(43)37(3,4)31(38)12-15-40(32,39)7/h8-10,21,27-28,31-33,43H,11-20,22-24H2,1-7H3,(H,42,44)(H,45,46)/t27-,28?,31-,32+,33-,38-,39+,40+,41+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PTP1B (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-010-9529-5 BindingDB Entry DOI: 10.7270/Q2F76GFZ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50487812 (CHEMBL2263115) Show SMILES CC1(C)CC[C@]2(CC(=O)NC(Cc3ccc(cc3)[N+]([O-])=O)C(O)=O)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]2C1 |r,c:29| Show InChI InChI=1S/C40H58N2O6/c1-35(2)18-20-40(24-33(44)41-29(34(45)46)22-25-8-10-26(11-9-25)42(47)48)21-19-38(6)27(28(40)23-35)12-13-31-37(5)16-15-32(43)36(3,4)30(37)14-17-39(31,38)7/h8-12,28-32,43H,13-24H2,1-7H3,(H,41,44)(H,45,46)/t28-,29?,30-,31+,32-,37-,38+,39+,40+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PTP1B (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-010-9529-5 BindingDB Entry DOI: 10.7270/Q2F76GFZ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50487812 (CHEMBL2263115) Show SMILES CC1(C)CC[C@]2(CC(=O)NC(Cc3ccc(cc3)[N+]([O-])=O)C(O)=O)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]2C1 |r,c:29| Show InChI InChI=1S/C40H58N2O6/c1-35(2)18-20-40(24-33(44)41-29(34(45)46)22-25-8-10-26(11-9-25)42(47)48)21-19-38(6)27(28(40)23-35)12-13-31-37(5)16-15-32(43)36(3,4)30(37)14-17-39(31,38)7/h8-12,28-32,43H,13-24H2,1-7H3,(H,41,44)(H,45,46)/t28-,29?,30-,31+,32-,37-,38+,39+,40+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PTP1B (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-010-9529-5 BindingDB Entry DOI: 10.7270/Q2F76GFZ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50487813 (CHEMBL2263112) Show SMILES CC1(C)CC[C@]2(CC(=O)NC(Cc3cccc(Cl)c3)C(O)=O)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]2C1 |r,c:27| Show InChI InChI=1S/C40H58ClNO4/c1-35(2)17-19-40(24-33(44)42-29(34(45)46)22-25-9-8-10-26(41)21-25)20-18-38(6)27(28(40)23-35)11-12-31-37(5)15-14-32(43)36(3,4)30(37)13-16-39(31,38)7/h8-11,21,28-32,43H,12-20,22-24H2,1-7H3,(H,42,44)(H,45,46)/t28-,29?,30-,31+,32-,37-,38+,39+,40+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PTP1B (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-010-9529-5 BindingDB Entry DOI: 10.7270/Q2F76GFZ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50487813 (CHEMBL2263112) Show SMILES CC1(C)CC[C@]2(CC(=O)NC(Cc3cccc(Cl)c3)C(O)=O)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]2C1 |r,c:27| Show InChI InChI=1S/C40H58ClNO4/c1-35(2)17-19-40(24-33(44)42-29(34(45)46)22-25-9-8-10-26(41)21-25)20-18-38(6)27(28(40)23-35)11-12-31-37(5)15-14-32(43)36(3,4)30(37)13-16-39(31,38)7/h8-11,21,28-32,43H,12-20,22-24H2,1-7H3,(H,42,44)(H,45,46)/t28-,29?,30-,31+,32-,37-,38+,39+,40+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PTP1B (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-010-9529-5 BindingDB Entry DOI: 10.7270/Q2F76GFZ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50487824 (CHEMBL2262834) Show SMILES COc1cccc(CC(NC(=O)C[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)C(O)=O)c1 |r,t:22| Show InChI InChI=1S/C41H61NO5/c1-36(2)18-20-41(25-34(44)42-30(35(45)46)23-26-10-9-11-27(22-26)47-8)21-19-39(6)28(29(41)24-36)12-13-32-38(5)16-15-33(43)37(3,4)31(38)14-17-40(32,39)7/h9-12,22,29-33,43H,13-21,23-25H2,1-8H3,(H,42,44)(H,45,46)/t29-,30?,31-,32+,33-,38-,39+,40+,41+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PTP1B (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-010-9529-5 BindingDB Entry DOI: 10.7270/Q2F76GFZ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50487824 (CHEMBL2262834) Show SMILES COc1cccc(CC(NC(=O)C[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)C(O)=O)c1 |r,t:22| Show InChI InChI=1S/C41H61NO5/c1-36(2)18-20-41(25-34(44)42-30(35(45)46)23-26-10-9-11-27(22-26)47-8)21-19-39(6)28(29(41)24-36)12-13-32-38(5)16-15-33(43)37(3,4)31(38)14-17-40(32,39)7/h9-12,22,29-33,43H,13-21,23-25H2,1-8H3,(H,42,44)(H,45,46)/t29-,30?,31-,32+,33-,38-,39+,40+,41+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PTP1B (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-010-9529-5 BindingDB Entry DOI: 10.7270/Q2F76GFZ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50487821 (CHEMBL2262833) Show SMILES COc1ccccc1CC(NC(=O)C[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(O)=O |r,t:24| Show InChI InChI=1S/C41H61NO5/c1-36(2)19-21-41(25-34(44)42-29(35(45)46)23-26-11-9-10-12-30(26)47-8)22-20-39(6)27(28(41)24-36)13-14-32-38(5)17-16-33(43)37(3,4)31(38)15-18-40(32,39)7/h9-13,28-29,31-33,43H,14-25H2,1-8H3,(H,42,44)(H,45,46)/t28-,29?,31-,32+,33-,38-,39+,40+,41+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PTP1B (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-010-9529-5 BindingDB Entry DOI: 10.7270/Q2F76GFZ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50487821 (CHEMBL2262833) Show SMILES COc1ccccc1CC(NC(=O)C[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(O)=O |r,t:24| Show InChI InChI=1S/C41H61NO5/c1-36(2)19-21-41(25-34(44)42-29(35(45)46)23-26-11-9-10-12-30(26)47-8)22-20-39(6)27(28(41)24-36)13-14-32-38(5)17-16-33(43)37(3,4)31(38)15-18-40(32,39)7/h9-13,28-29,31-33,43H,14-25H2,1-8H3,(H,42,44)(H,45,46)/t28-,29?,31-,32+,33-,38-,39+,40+,41+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PTP1B (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-010-9529-5 BindingDB Entry DOI: 10.7270/Q2F76GFZ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50246744 ((4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-(4-carboxy...) Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OCc6ccc(cc6)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10| Show InChI InChI=1S/C38H54O5/c1-33(2)18-20-38(32(41)42)21-19-36(6)26(27(38)22-33)12-13-29-35(5)16-15-30(34(3,4)28(35)14-17-37(29,36)7)43-23-24-8-10-25(11-9-24)31(39)40/h8-12,27-30H,13-23H2,1-7H3,(H,39,40)(H,41,42)/t27-,28-,29+,30-,35-,36+,37+,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	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PTP1B (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-010-9529-5 BindingDB Entry DOI: 10.7270/Q2F76GFZ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50246744 ((4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-(4-carboxy...) Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OCc6ccc(cc6)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10| Show InChI InChI=1S/C38H54O5/c1-33(2)18-20-38(32(41)42)21-19-36(6)26(27(38)22-33)12-13-29-35(5)16-15-30(34(3,4)28(35)14-17-37(29,36)7)43-23-24-8-10-25(11-9-24)31(39)40/h8-12,27-30H,13-23H2,1-7H3,(H,39,40)(H,41,42)/t27-,28-,29+,30-,35-,36+,37+,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	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PTP1B (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-010-9529-5 BindingDB Entry DOI: 10.7270/Q2F76GFZ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50487811 (CHEMBL2262831) Show SMILES Cc1ccccc1CC(NC(=O)C[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(O)=O |r,t:23| Show InChI InChI=1S/C41H61NO4/c1-26-11-9-10-12-27(26)23-30(35(45)46)42-34(44)25-41-21-19-36(2,3)24-29(41)28-13-14-32-38(6)17-16-33(43)37(4,5)31(38)15-18-40(32,8)39(28,7)20-22-41/h9-13,29-33,43H,14-25H2,1-8H3,(H,42,44)(H,45,46)/t29-,30?,31-,32+,33-,38-,39+,40+,41+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PTP1B (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-010-9529-5 BindingDB Entry DOI: 10.7270/Q2F76GFZ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50487802 (CHEMBL2263110) Show SMILES CSCCC(NC(=O)C[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(O)=O |r,t:18| Show InChI InChI=1S/C36H59NO4S/c1-31(2)16-18-36(22-29(39)37-25(30(40)41)13-20-42-8)19-17-34(6)23(24(36)21-31)9-10-27-33(5)14-12-28(38)32(3,4)26(33)11-15-35(27,34)7/h9,24-28,38H,10-22H2,1-8H3,(H,37,39)(H,40,41)/t24-,25?,26-,27+,28-,33-,34+,35+,36+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PTP1B (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-010-9529-5 BindingDB Entry DOI: 10.7270/Q2F76GFZ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50487811 (CHEMBL2262831) Show SMILES Cc1ccccc1CC(NC(=O)C[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(O)=O |r,t:23| Show InChI InChI=1S/C41H61NO4/c1-26-11-9-10-12-27(26)23-30(35(45)46)42-34(44)25-41-21-19-36(2,3)24-29(41)28-13-14-32-38(6)17-16-33(43)37(4,5)31(38)15-18-40(32,8)39(28,7)20-22-41/h9-13,29-33,43H,14-25H2,1-8H3,(H,42,44)(H,45,46)/t29-,30?,31-,32+,33-,38-,39+,40+,41+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PTP1B (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-010-9529-5 BindingDB Entry DOI: 10.7270/Q2F76GFZ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50487802 (CHEMBL2263110) Show SMILES CSCCC(NC(=O)C[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(O)=O |r,t:18| Show InChI InChI=1S/C36H59NO4S/c1-31(2)16-18-36(22-29(39)37-25(30(40)41)13-20-42-8)19-17-34(6)23(24(36)21-31)9-10-27-33(5)14-12-28(38)32(3,4)26(33)11-15-35(27,34)7/h9,24-28,38H,10-22H2,1-8H3,(H,37,39)(H,40,41)/t24-,25?,26-,27+,28-,33-,34+,35+,36+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PTP1B (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-010-9529-5 BindingDB Entry DOI: 10.7270/Q2F76GFZ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50487814 (CHEMBL2263111) Show SMILES CC1(C)CC[C@]2(CC(=O)NC(Cc3ccccc3Cl)C(O)=O)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]2C1 |r,c:27| Show InChI InChI=1S/C40H58ClNO4/c1-35(2)18-20-40(24-33(44)42-29(34(45)46)22-25-10-8-9-11-28(25)41)21-19-38(6)26(27(40)23-35)12-13-31-37(5)16-15-32(43)36(3,4)30(37)14-17-39(31,38)7/h8-12,27,29-32,43H,13-24H2,1-7H3,(H,42,44)(H,45,46)/t27-,29?,30-,31+,32-,37-,38+,39+,40+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PTP1B (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-010-9529-5 BindingDB Entry DOI: 10.7270/Q2F76GFZ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50487814 (CHEMBL2263111) Show SMILES CC1(C)CC[C@]2(CC(=O)NC(Cc3ccccc3Cl)C(O)=O)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]2C1 |r,c:27| Show InChI InChI=1S/C40H58ClNO4/c1-35(2)18-20-40(24-33(44)42-29(34(45)46)22-25-10-8-9-11-28(25)41)21-19-38(6)26(27(40)23-35)12-13-31-37(5)16-15-32(43)36(3,4)30(37)14-17-39(31,38)7/h8-12,27,29-32,43H,13-24H2,1-7H3,(H,42,44)(H,45,46)/t27-,29?,30-,31+,32-,37-,38+,39+,40+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PTP1B (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-010-9529-5 BindingDB Entry DOI: 10.7270/Q2F76GFZ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50487816 (CHEMBL2263107) Show SMILES CC1(C)CC[C@]2(CC(=O)NC(Cc3ccccc3)C(O)=O)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]2C1 |r,c:26| Show InChI InChI=1S/C40H59NO4/c1-35(2)19-21-40(25-33(43)41-29(34(44)45)23-26-11-9-8-10-12-26)22-20-38(6)27(28(40)24-35)13-14-31-37(5)17-16-32(42)36(3,4)30(37)15-18-39(31,38)7/h8-13,28-32,42H,14-25H2,1-7H3,(H,41,43)(H,44,45)/t28-,29?,30-,31+,32-,37-,38+,39+,40+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PTP1B (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-010-9529-5 BindingDB Entry DOI: 10.7270/Q2F76GFZ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50487823 (CHEMBL2263114) Show SMILES CC1(C)CC[C@]2(CC(=O)NC(Cc3ccc(F)cc3)C(O)=O)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]2C1 |r,c:27| Show InChI InChI=1S/C40H58FNO4/c1-35(2)18-20-40(24-33(44)42-29(34(45)46)22-25-8-10-26(41)11-9-25)21-19-38(6)27(28(40)23-35)12-13-31-37(5)16-15-32(43)36(3,4)30(37)14-17-39(31,38)7/h8-12,28-32,43H,13-24H2,1-7H3,(H,42,44)(H,45,46)/t28-,29?,30-,31+,32-,37-,38+,39+,40+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PTP1B (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-010-9529-5 BindingDB Entry DOI: 10.7270/Q2F76GFZ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50487823 (CHEMBL2263114) Show SMILES CC1(C)CC[C@]2(CC(=O)NC(Cc3ccc(F)cc3)C(O)=O)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]2C1 |r,c:27| Show InChI InChI=1S/C40H58FNO4/c1-35(2)18-20-40(24-33(44)42-29(34(45)46)22-25-8-10-26(41)11-9-25)21-19-38(6)27(28(40)23-35)12-13-31-37(5)16-15-32(43)36(3,4)30(37)14-17-39(31,38)7/h8-12,28-32,43H,13-24H2,1-7H3,(H,42,44)(H,45,46)/t28-,29?,30-,31+,32-,37-,38+,39+,40+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PTP1B (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-010-9529-5 BindingDB Entry DOI: 10.7270/Q2F76GFZ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50487816 (CHEMBL2263107) Show SMILES CC1(C)CC[C@]2(CC(=O)NC(Cc3ccccc3)C(O)=O)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]2C1 |r,c:26| Show InChI InChI=1S/C40H59NO4/c1-35(2)19-21-40(25-33(43)41-29(34(44)45)23-26-11-9-8-10-12-26)22-20-38(6)27(28(40)24-35)13-14-31-37(5)17-16-32(42)36(3,4)30(37)15-18-39(31,38)7/h8-13,28-32,42H,14-25H2,1-7H3,(H,41,43)(H,44,45)/t28-,29?,30-,31+,32-,37-,38+,39+,40+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PTP1B (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-010-9529-5 BindingDB Entry DOI: 10.7270/Q2F76GFZ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50487804 (CHEMBL2262838) Show SMILES CC1(C)CC[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]2C1)C(=O)OCCCCCCCCCCCCC(O)=O |r,c:10| Show InChI InChI=1S/C43H72O5/c1-38(2)25-27-43(37(47)48-29-17-15-13-11-9-8-10-12-14-16-18-36(45)46)28-26-41(6)31(32(43)30-38)19-20-34-40(5)23-22-35(44)39(3,4)33(40)21-24-42(34,41)7/h19,32-35,44H,8-18,20-30H2,1-7H3,(H,45,46)/t32-,33-,34+,35-,40-,41+,42+,43-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PTP1B (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-010-9529-5 BindingDB Entry DOI: 10.7270/Q2F76GFZ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50487825 (CHEMBL2263109) Show SMILES CC1(C)CC[C@]2(CC(=O)NC(CC3=CCc4ccccc34)C(O)=O)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]2C1 |r,c:30,t:12| Show InChI InChI=1S/C43H61NO4/c1-38(2)20-22-43(26-36(46)44-32(37(47)48)24-28-13-12-27-10-8-9-11-29(27)28)23-21-41(6)30(31(43)25-38)14-15-34-40(5)18-17-35(45)39(3,4)33(40)16-19-42(34,41)7/h8-11,13-14,31-35,45H,12,15-26H2,1-7H3,(H,44,46)(H,47,48)/t31-,32?,33-,34+,35-,40-,41+,42+,43+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PTP1B (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-010-9529-5 BindingDB Entry DOI: 10.7270/Q2F76GFZ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50487825 (CHEMBL2263109) Show SMILES CC1(C)CC[C@]2(CC(=O)NC(CC3=CCc4ccccc34)C(O)=O)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]2C1 |r,c:30,t:12| Show InChI InChI=1S/C43H61NO4/c1-38(2)20-22-43(26-36(46)44-32(37(47)48)24-28-13-12-27-10-8-9-11-29(27)28)23-21-41(6)30(31(43)25-38)14-15-34-40(5)18-17-35(45)39(3,4)33(40)16-19-42(34,41)7/h8-11,13-14,31-35,45H,12,15-26H2,1-7H3,(H,44,46)(H,47,48)/t31-,32?,33-,34+,35-,40-,41+,42+,43+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PTP1B (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-010-9529-5 BindingDB Entry DOI: 10.7270/Q2F76GFZ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50487804 (CHEMBL2262838) Show SMILES CC1(C)CC[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]2C1)C(=O)OCCCCCCCCCCCCC(O)=O |r,c:10| Show InChI InChI=1S/C43H72O5/c1-38(2)25-27-43(37(47)48-29-17-15-13-11-9-8-10-12-14-16-18-36(45)46)28-26-41(6)31(32(43)30-38)19-20-34-40(5)23-22-35(44)39(3,4)33(40)21-24-42(34,41)7/h19,32-35,44H,8-18,20-30H2,1-7H3,(H,45,46)/t32-,33-,34+,35-,40-,41+,42+,43-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PTP1B (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-010-9529-5 BindingDB Entry DOI: 10.7270/Q2F76GFZ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50487820 (CHEMBL2262835) Show SMILES COc1ccc(CC(NC(=O)C[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)C(O)=O)cc1 |r,t:21| Show InChI InChI=1S/C41H61NO5/c1-36(2)19-21-41(25-34(44)42-30(35(45)46)23-26-9-11-27(47-8)12-10-26)22-20-39(6)28(29(41)24-36)13-14-32-38(5)17-16-33(43)37(3,4)31(38)15-18-40(32,39)7/h9-13,29-33,43H,14-25H2,1-8H3,(H,42,44)(H,45,46)/t29-,30?,31-,32+,33-,38-,39+,40+,41+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PTP1B (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-010-9529-5 BindingDB Entry DOI: 10.7270/Q2F76GFZ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50487820 (CHEMBL2262835) Show SMILES COc1ccc(CC(NC(=O)C[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)C(O)=O)cc1 |r,t:21| Show InChI InChI=1S/C41H61NO5/c1-36(2)19-21-41(25-34(44)42-30(35(45)46)23-26-9-11-27(47-8)12-10-26)22-20-39(6)28(29(41)24-36)13-14-32-38(5)17-16-33(43)37(3,4)31(38)15-18-40(32,39)7/h9-13,29-33,43H,14-25H2,1-8H3,(H,42,44)(H,45,46)/t29-,30?,31-,32+,33-,38-,39+,40+,41+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PTP1B (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-010-9529-5 BindingDB Entry DOI: 10.7270/Q2F76GFZ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50487798 (CHEMBL2263113) Show SMILES CC1(C)CC[C@]2(CC(=O)NC(Cc3ccc(Cl)cc3)C(O)=O)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]2C1 |r,c:27| Show InChI InChI=1S/C40H58ClNO4/c1-35(2)18-20-40(24-33(44)42-29(34(45)46)22-25-8-10-26(41)11-9-25)21-19-38(6)27(28(40)23-35)12-13-31-37(5)16-15-32(43)36(3,4)30(37)14-17-39(31,38)7/h8-12,28-32,43H,13-24H2,1-7H3,(H,42,44)(H,45,46)/t28-,29?,30-,31+,32-,37-,38+,39+,40+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PTP1B (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-010-9529-5 BindingDB Entry DOI: 10.7270/Q2F76GFZ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50487798 (CHEMBL2263113) Show SMILES CC1(C)CC[C@]2(CC(=O)NC(Cc3ccc(Cl)cc3)C(O)=O)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]2C1 |r,c:27| Show InChI InChI=1S/C40H58ClNO4/c1-35(2)18-20-40(24-33(44)42-29(34(45)46)22-25-8-10-26(41)11-9-25)21-19-38(6)27(28(40)23-35)12-13-31-37(5)16-15-32(43)36(3,4)30(37)14-17-39(31,38)7/h8-12,28-32,43H,13-24H2,1-7H3,(H,42,44)(H,45,46)/t28-,29?,30-,31+,32-,37-,38+,39+,40+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PTP1B (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-010-9529-5 BindingDB Entry DOI: 10.7270/Q2F76GFZ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50246743 ((4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-(3-carboxy...) Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OCc6cccc(c6)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10| Show InChI InChI=1S/C38H54O5/c1-33(2)17-19-38(32(41)42)20-18-36(6)26(27(38)22-33)11-12-29-35(5)15-14-30(34(3,4)28(35)13-16-37(29,36)7)43-23-24-9-8-10-25(21-24)31(39)40/h8-11,21,27-30H,12-20,22-23H2,1-7H3,(H,39,40)(H,41,42)/t27-,28-,29+,30-,35-,36+,37+,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	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PTP1B (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-010-9529-5 BindingDB Entry DOI: 10.7270/Q2F76GFZ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50246743 ((4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-(3-carboxy...) Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OCc6cccc(c6)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10| Show InChI InChI=1S/C38H54O5/c1-33(2)17-19-38(32(41)42)20-18-36(6)26(27(38)22-33)11-12-29-35(5)15-14-30(34(3,4)28(35)13-16-37(29,36)7)43-23-24-9-8-10-25(21-24)31(39)40/h8-11,21,27-30H,12-20,22-23H2,1-7H3,(H,39,40)(H,41,42)/t27-,28-,29+,30-,35-,36+,37+,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	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PTP1B (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-010-9529-5 BindingDB Entry DOI: 10.7270/Q2F76GFZ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50487803 (CHEMBL2262830) Show SMILES COc1cc(CC(NC(=O)C[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)C(O)=O)cc(OC)c1 |r,t:20| Show InChI InChI=1S/C42H63NO6/c1-37(2)16-18-42(25-35(45)43-31(36(46)47)22-26-20-27(48-8)23-28(21-26)49-9)19-17-40(6)29(30(42)24-37)10-11-33-39(5)14-13-34(44)38(3,4)32(39)12-15-41(33,40)7/h10,20-21,23,30-34,44H,11-19,22,24-25H2,1-9H3,(H,43,45)(H,46,47)/t30-,31?,32-,33+,34-,39-,40+,41+,42+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PTP1B (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-010-9529-5 BindingDB Entry DOI: 10.7270/Q2F76GFZ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50487803 (CHEMBL2262830) Show SMILES COc1cc(CC(NC(=O)C[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)C(O)=O)cc(OC)c1 |r,t:20| Show InChI InChI=1S/C42H63NO6/c1-37(2)16-18-42(25-35(45)43-31(36(46)47)22-26-20-27(48-8)23-28(21-26)49-9)19-17-40(6)29(30(42)24-37)10-11-33-39(5)14-13-34(44)38(3,4)32(39)12-15-41(33,40)7/h10,20-21,23,30-34,44H,11-19,22,24-25H2,1-9H3,(H,43,45)(H,46,47)/t30-,31?,32-,33+,34-,39-,40+,41+,42+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PTP1B (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-010-9529-5 BindingDB Entry DOI: 10.7270/Q2F76GFZ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50487810 (CHEMBL2262832) Show SMILES Cc1ccc(CC(NC(=O)C[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)C(O)=O)cc1 |r,t:20| Show InChI InChI=1S/C41H61NO4/c1-26-9-11-27(12-10-26)23-30(35(45)46)42-34(44)25-41-21-19-36(2,3)24-29(41)28-13-14-32-38(6)17-16-33(43)37(4,5)31(38)15-18-40(32,8)39(28,7)20-22-41/h9-13,29-33,43H,14-25H2,1-8H3,(H,42,44)(H,45,46)/t29-,30?,31-,32+,33-,38-,39+,40+,41+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PTP1B (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-010-9529-5 BindingDB Entry DOI: 10.7270/Q2F76GFZ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50487810 (CHEMBL2262832) Show SMILES Cc1ccc(CC(NC(=O)C[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)C(O)=O)cc1 |r,t:20| Show InChI InChI=1S/C41H61NO4/c1-26-9-11-27(12-10-26)23-30(35(45)46)42-34(44)25-41-21-19-36(2,3)24-29(41)28-13-14-32-38(6)17-16-33(43)37(4,5)31(38)15-18-40(32,8)39(28,7)20-22-41/h9-13,29-33,43H,14-25H2,1-8H3,(H,42,44)(H,45,46)/t29-,30?,31-,32+,33-,38-,39+,40+,41+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PTP1B (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-010-9529-5 BindingDB Entry DOI: 10.7270/Q2F76GFZ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50487809 (CHEMBL2262837) Show SMILES COc1cccc(CC(NC(=O)C[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)C(O)=O)c1OC |r,t:22| Show InChI InChI=1S/C42H63NO6/c1-37(2)19-21-42(25-34(45)43-29(36(46)47)23-26-11-10-12-30(48-8)35(26)49-9)22-20-40(6)27(28(42)24-37)13-14-32-39(5)17-16-33(44)38(3,4)31(39)15-18-41(32,40)7/h10-13,28-29,31-33,44H,14-25H2,1-9H3,(H,43,45)(H,46,47)/t28-,29?,31-,32+,33-,39-,40+,41+,42+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PTP1B (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-010-9529-5 BindingDB Entry DOI: 10.7270/Q2F76GFZ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50487809 (CHEMBL2262837) Show SMILES COc1cccc(CC(NC(=O)C[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)C(O)=O)c1OC |r,t:22| Show InChI InChI=1S/C42H63NO6/c1-37(2)19-21-42(25-34(45)43-29(36(46)47)23-26-11-10-12-30(48-8)35(26)49-9)22-20-40(6)27(28(42)24-37)13-14-32-39(5)17-16-33(44)38(3,4)31(39)15-18-41(32,40)7/h10-13,28-29,31-33,44H,14-25H2,1-9H3,(H,43,45)(H,46,47)/t28-,29?,31-,32+,33-,39-,40+,41+,42+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PTP1B (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-010-9529-5 BindingDB Entry DOI: 10.7270/Q2F76GFZ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50487822 (CHEMBL2263120) Show SMILES CC1(C)CC[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]2C1)C(=O)OCCCCCCCCCCC(O)=O |r,c:10| Show InChI InChI=1S/C41H68O5/c1-36(2)23-25-41(35(45)46-27-15-13-11-9-8-10-12-14-16-34(43)44)26-24-39(6)29(30(41)28-36)17-18-32-38(5)21-20-33(42)37(3,4)31(38)19-22-40(32,39)7/h17,30-33,42H,8-16,18-28H2,1-7H3,(H,43,44)/t30-,31-,32+,33-,38-,39+,40+,41-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	720	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PTP1B (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-010-9529-5 BindingDB Entry DOI: 10.7270/Q2F76GFZ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50487822 (CHEMBL2263120) Show SMILES CC1(C)CC[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]2C1)C(=O)OCCCCCCCCCCC(O)=O |r,c:10| Show InChI InChI=1S/C41H68O5/c1-36(2)23-25-41(35(45)46-27-15-13-11-9-8-10-12-14-16-34(43)44)26-24-39(6)29(30(41)28-36)17-18-32-38(5)21-20-33(42)37(3,4)31(38)19-22-40(32,39)7/h17,30-33,42H,8-16,18-28H2,1-7H3,(H,43,44)/t30-,31-,32+,33-,38-,39+,40+,41-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	720	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PTP1B (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-010-9529-5 BindingDB Entry DOI: 10.7270/Q2F76GFZ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50487801 (CHEMBL2263119) Show SMILES CC1(C)CC[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]2C1)C(=O)OCCCCCCCCC(O)=O |r,c:10| Show InChI InChI=1S/C39H64O5/c1-34(2)21-23-39(33(43)44-25-13-11-9-8-10-12-14-32(41)42)24-22-37(6)27(28(39)26-34)15-16-30-36(5)19-18-31(40)35(3,4)29(36)17-20-38(30,37)7/h15,28-31,40H,8-14,16-26H2,1-7H3,(H,41,42)/t28-,29-,30+,31-,36-,37+,38+,39-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PTP1B (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-010-9529-5 BindingDB Entry DOI: 10.7270/Q2F76GFZ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50487801 (CHEMBL2263119) Show SMILES CC1(C)CC[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]2C1)C(=O)OCCCCCCCCC(O)=O |r,c:10| Show InChI InChI=1S/C39H64O5/c1-34(2)21-23-39(33(43)44-25-13-11-9-8-10-12-14-32(41)42)24-22-37(6)27(28(39)26-34)15-16-30-36(5)19-18-31(40)35(3,4)29(36)17-20-38(30,37)7/h15,28-31,40H,8-14,16-26H2,1-7H3,(H,41,42)/t28-,29-,30+,31-,36-,37+,38+,39-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PTP1B (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-010-9529-5 BindingDB Entry DOI: 10.7270/Q2F76GFZ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50487808 (CHEMBL2262829) Show SMILES COc1ccc(CC(NC(=O)C[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)C(O)=O)cc1OC |r,t:21| Show InChI InChI=1S/C42H63NO6/c1-37(2)18-20-42(25-35(45)43-29(36(46)47)22-26-10-12-30(48-8)31(23-26)49-9)21-19-40(6)27(28(42)24-37)11-13-33-39(5)16-15-34(44)38(3,4)32(39)14-17-41(33,40)7/h10-12,23,28-29,32-34,44H,13-22,24-25H2,1-9H3,(H,43,45)(H,46,47)/t28-,29?,32-,33+,34-,39-,40+,41+,42+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	820	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PTP1B (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-010-9529-5 BindingDB Entry DOI: 10.7270/Q2F76GFZ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50487808 (CHEMBL2262829) Show SMILES COc1ccc(CC(NC(=O)C[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)C(O)=O)cc1OC |r,t:21| Show InChI InChI=1S/C42H63NO6/c1-37(2)18-20-42(25-35(45)43-29(36(46)47)22-26-10-12-30(48-8)31(23-26)49-9)21-19-40(6)27(28(42)24-37)11-13-33-39(5)16-15-34(44)38(3,4)32(39)14-17-41(33,40)7/h10-12,23,28-29,32-34,44H,13-22,24-25H2,1-9H3,(H,43,45)(H,46,47)/t28-,29?,32-,33+,34-,39-,40+,41+,42+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	820	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PTP1B (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-010-9529-5 BindingDB Entry DOI: 10.7270/Q2F76GFZ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50487799 (CHEMBL2263118) Show SMILES CC1(C)CC[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]2C1)C(=O)OCCCCCCC(O)=O |r,c:10| Show InChI InChI=1S/C37H60O5/c1-32(2)19-21-37(31(41)42-23-11-9-8-10-12-30(39)40)22-20-35(6)25(26(37)24-32)13-14-28-34(5)17-16-29(38)33(3,4)27(34)15-18-36(28,35)7/h13,26-29,38H,8-12,14-24H2,1-7H3,(H,39,40)/t26-,27-,28+,29-,34-,35+,36+,37-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	880	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PTP1B (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-010-9529-5 BindingDB Entry DOI: 10.7270/Q2F76GFZ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50487799 (CHEMBL2263118) Show SMILES CC1(C)CC[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]2C1)C(=O)OCCCCCCC(O)=O |r,c:10| Show InChI InChI=1S/C37H60O5/c1-32(2)19-21-37(31(41)42-23-11-9-8-10-12-30(39)40)22-20-35(6)25(26(37)24-32)13-14-28-34(5)17-16-29(38)33(3,4)27(34)15-18-36(28,35)7/h13,26-29,38H,8-12,14-24H2,1-7H3,(H,39,40)/t26-,27-,28+,29-,34-,35+,36+,37-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	880	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PTP1B (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-010-9529-5 BindingDB Entry DOI: 10.7270/Q2F76GFZ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50487826 (CHEMBL2263117) Show SMILES CC1(C)CC[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]2C1)C(=O)OCCCCC(O)=O |r,c:10| Show InChI InChI=1S/C35H56O5/c1-30(2)17-19-35(29(39)40-21-9-8-10-28(37)38)20-18-33(6)23(24(35)22-30)11-12-26-32(5)15-14-27(36)31(3,4)25(32)13-16-34(26,33)7/h11,24-27,36H,8-10,12-22H2,1-7H3,(H,37,38)/t24-,25-,26+,27-,32-,33+,34+,35-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	1.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PTP1B (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-010-9529-5 BindingDB Entry DOI: 10.7270/Q2F76GFZ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50487826 (CHEMBL2263117) Show SMILES CC1(C)CC[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]2C1)C(=O)OCCCCC(O)=O |r,c:10| Show InChI InChI=1S/C35H56O5/c1-30(2)17-19-35(29(39)40-21-9-8-10-28(37)38)20-18-33(6)23(24(35)22-30)11-12-26-32(5)15-14-27(36)31(3,4)25(32)13-16-34(26,33)7/h11,24-27,36H,8-10,12-22H2,1-7H3,(H,37,38)/t24-,25-,26+,27-,32-,33+,34+,35-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	1.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PTP1B (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-010-9529-5 BindingDB Entry DOI: 10.7270/Q2F76GFZ
					More data for this Ligand-Target Pair

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