Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for entry = 50042916   

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))	BDBM50433190 (CHEMBL2375455) Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)NCCCCCC(O)=O |r,c:10| Show InChI InChI=1S/C42H67NO10/c1-37(2)18-20-42(36(51)43-22-10-8-9-11-29(44)45)21-19-40(6)24(25(42)23-37)12-13-27-39(5)16-15-28(38(3,4)26(39)14-17-41(27,40)7)52-35-32(48)30(46)31(47)33(53-35)34(49)50/h12,25-28,30-33,35,46-48H,8-11,13-23H2,1-7H3,(H,43,51)(H,44,45)(H,49,50)/t25-,26-,27+,28-,30-,31-,32+,33-,35+,39-,40+,41+,42-/m0/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	560	n/a	n/a	n/a	n/a	n/a	n/a
Northwest University Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin) expressed in Escherichia coli expression system using p-nitrophenyl phosphate as substrate assessed as release o...				Eur J Med Chem 63: 511-22 (2013) Article DOI: 10.1016/j.ejmech.2013.03.001 BindingDB Entry DOI: 10.7270/Q27S7Q59
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50433193 (CHEMBL2375471) Show SMILES COC(=O)CCCCCNC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O[C@H]5O[C@@H]([C@@H](O)[C@H](O)[C@@H]5O)C(O)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 |r,t:21| Show InChI InChI=1S/C43H69NO10/c1-38(2)19-21-43(37(51)44-23-11-9-10-12-30(45)52-8)22-20-41(6)25(26(43)24-38)13-14-28-40(5)17-16-29(39(3,4)27(40)15-18-42(28,41)7)53-36-33(48)31(46)32(47)34(54-36)35(49)50/h13,26-29,31-34,36,46-48H,9-12,14-24H2,1-8H3,(H,44,51)(H,49,50)/t26-,27-,28+,29-,31-,32-,33-,34-,36-,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	1.91E+3	n/a	n/a	n/a	n/a	n/a	n/a
Northwest University Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin) expressed in Escherichia coli expression system using p-nitrophenyl phosphate as substrate assessed as release o...				Eur J Med Chem 63: 511-22 (2013) Article DOI: 10.1016/j.ejmech.2013.03.001 BindingDB Entry DOI: 10.7270/Q27S7Q59
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50433177 (SODIUM ORTHOVANADATE) Show SMILES O[V]([O-])([O-])=O Show InChI InChI=1S/H2O.3O.V/h1H2;;;;/q;;2*-1;+1/p-1	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	8.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
Northwest University Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin) expressed in Escherichia coli expression system using p-nitrophenyl phosphate as substrate assessed as release o...				Eur J Med Chem 63: 511-22 (2013) Article DOI: 10.1016/j.ejmech.2013.03.001 BindingDB Entry DOI: 10.7270/Q27S7Q59
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50433191 (CHEMBL2375454) Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)NCCCCCC(O)=O |r,c:10| Show InChI InChI=1S/C48H79NO14/c1-43(2)18-20-48(42(59)49-22-10-8-9-11-33(52)53)21-19-46(6)26(27(48)23-43)12-13-31-45(5)16-15-32(44(3,4)30(45)14-17-47(31,46)7)62-40-38(58)36(56)39(29(25-51)61-40)63-41-37(57)35(55)34(54)28(24-50)60-41/h12,27-32,34-41,50-51,54-58H,8-11,13-25H2,1-7H3,(H,49,59)(H,52,53)/t27-,28+,29+,30-,31+,32-,34-,35-,36+,37+,38+,39+,40-,41-,45-,46+,47+,48-/m0/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	9.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
Northwest University Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin) expressed in Escherichia coli expression system using p-nitrophenyl phosphate as substrate assessed as release o...				Eur J Med Chem 63: 511-22 (2013) Article DOI: 10.1016/j.ejmech.2013.03.001 BindingDB Entry DOI: 10.7270/Q27S7Q59
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50433192 (CHEMBL2375448) Show SMILES COC(=O)CCCCCNC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O[C@H]5O[C@@H]([C@@H](O)[C@H](O)[C@@H]5O)C(=O)OC)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 |r,t:21| Show InChI InChI=1S/C44H71NO10/c1-39(2)20-22-44(38(51)45-24-12-10-11-13-31(46)52-8)23-21-42(6)26(27(44)25-39)14-15-29-41(5)18-17-30(40(3,4)28(41)16-19-43(29,42)7)54-37-34(49)32(47)33(48)35(55-37)36(50)53-9/h14,27-30,32-35,37,47-49H,10-13,15-25H2,1-9H3,(H,45,51)/t27-,28-,29+,30-,32-,33-,34-,35-,37-,41-,42+,43+,44-/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	1.22E+4	n/a	n/a	n/a	n/a	n/a	n/a
Northwest University Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin) expressed in Escherichia coli expression system using p-nitrophenyl phosphate as substrate assessed as release o...				Eur J Med Chem 63: 511-22 (2013) Article DOI: 10.1016/j.ejmech.2013.03.001 BindingDB Entry DOI: 10.7270/Q27S7Q59
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50433189 (CHEMBL2375456) Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@H]6O[C@@H]([C@@H](O)[C@H](O)[C@@H]6O)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)NCCCCCC(O)=O |r,c:10| Show InChI InChI=1S/C42H67NO10/c1-37(2)18-20-42(36(51)43-22-10-8-9-11-29(44)45)21-19-40(6)24(25(42)23-37)12-13-27-39(5)16-15-28(38(3,4)26(39)14-17-41(27,40)7)52-35-32(48)30(46)31(47)33(53-35)34(49)50/h12,25-28,30-33,35,46-48H,8-11,13-23H2,1-7H3,(H,43,51)(H,44,45)(H,49,50)/t25-,26-,27+,28-,30-,31-,32-,33-,35-,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	1.61E+4	n/a	n/a	n/a	n/a	n/a	n/a
Northwest University Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin) expressed in Escherichia coli expression system using p-nitrophenyl phosphate as substrate assessed as release o...				Eur J Med Chem 63: 511-22 (2013) Article DOI: 10.1016/j.ejmech.2013.03.001 BindingDB Entry DOI: 10.7270/Q27S7Q59
					More data for this Ligand-Target Pair