Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with all data for entry = 50037023   

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))	BDBM50113299 (5-[3-Nitro-4-(6-nitro-benzothiazol-2-ylsulfanyl)-b...) Show SMILES [#8-]-[#7+](=O)-c1ccc2nc(-[#16]-c3ccc(\[#6]=[#6]-4/[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-4=O)cc3-[#7+](-[#8-])=O)sc2c1 Show InChI InChI=1S/C18H9N5O7S2/c24-15-10(16(25)21-17(26)20-15)5-8-1-4-13(12(6-8)23(29)30)31-18-19-11-3-2-9(22(27)28)7-14(11)32-18/h1-7H,(H2,20,21,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Protein-tyrosine phosphatase 1B (PTP1B) dephosphorylation of insulin receptor peptide				J Med Chem 45: 2213-21 (2002) BindingDB Entry DOI: 10.7270/Q2SB46F1
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50113293 (4-[4-Oxo-5-(3-phenyl-allylidene)-2-thioxo-thiazoli...) Show SMILES [O-]C(=O)c1ccc(cc1)N1C(=S)S\C(=C\C=C\c2ccccc2)C1=O Show InChI InChI=1S/C19H13NO3S2/c21-17-16(8-4-7-13-5-2-1-3-6-13)25-19(24)20(17)15-11-9-14(10-12-15)18(22)23/h1-12H,(H,22,23)/p-1/b7-4+,16-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Protein-tyrosine phosphatase 1B (PTP1B) dephosphorylation of insulin receptor peptide				J Med Chem 45: 2213-21 (2002) BindingDB Entry DOI: 10.7270/Q2SB46F1
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50113297 (3-(4,5-Bis-biphenyl-4-yl-1H-imidazol-2-yl)-phenol ...) Show SMILES Oc1cccc(c1)-c1nc(c([nH]1)-c1ccc(cc1)-c1ccccc1)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C33H24N2O/c36-30-13-7-12-29(22-30)33-34-31(27-18-14-25(15-19-27)23-8-3-1-4-9-23)32(35-33)28-20-16-26(17-21-28)24-10-5-2-6-11-24/h1-22,36H,(H,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Protein-tyrosine phosphatase 1B (PTP1B) dephosphorylation of insulin receptor peptide				J Med Chem 45: 2213-21 (2002) BindingDB Entry DOI: 10.7270/Q2SB46F1
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50113296 (2-Hydroxy-4-[5-(4-oxo-3-phenyl-2-phenylimino-thiaz...) Show SMILES Oc1cc(ccc1C([O-])=O)-c1ccc(\C=C2\S\C(=N/c3ccccc3)N(C2=O)c2ccccc2)o1 Show InChI InChI=1S/C27H18N2O5S/c30-22-15-17(11-13-21(22)26(32)33)23-14-12-20(34-23)16-24-25(31)29(19-9-5-2-6-10-19)27(35-24)28-18-7-3-1-4-8-18/h1-16,30H,(H,32,33)/p-1/b24-16+,28-27-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Protein-tyrosine phosphatase 1B (PTP1B) dephosphorylation of insulin receptor peptide				J Med Chem 45: 2213-21 (2002) BindingDB Entry DOI: 10.7270/Q2SB46F1
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50113295 (1-[5-(4-Chloro-phenyl)-2-phenyl-2H-pyrazol-3-yl]-3...) Show SMILES Clc1ccc(cc1)-c1cc(NC(=O)Nc2ccccc2)n(n1)-c1ccccc1 Show InChI InChI=1S/C22H17ClN4O/c23-17-13-11-16(12-14-17)20-15-21(27(26-20)19-9-5-2-6-10-19)25-22(28)24-18-7-3-1-4-8-18/h1-15H,(H2,24,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Protein-tyrosine phosphatase 1B (PTP1B) dephosphorylation of insulin receptor peptide				J Med Chem 45: 2213-21 (2002) BindingDB Entry DOI: 10.7270/Q2SB46F1
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50113303 (2-Chloro-4-{5-[1-(3-chloro-phenyl)-3-methyl-5-oxo-...) Show SMILES [O-]C(=O)c1ccc(cc1Cl)-c1ccc(C=c2c(=C)[nH]n(-c3cccc(Cl)c3)c2=O)o1 |w:14.14| Show InChI InChI=1S/C22H14Cl2N2O4/c1-12-18(21(27)26(25-12)15-4-2-3-14(23)10-15)11-16-6-8-20(30-16)13-5-7-17(22(28)29)19(24)9-13/h2-11,25H,1H2,(H,28,29)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.93E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Protein-tyrosine phosphatase 1B (PTP1B) dephosphorylation of insulin receptor peptide				J Med Chem 45: 2213-21 (2002) BindingDB Entry DOI: 10.7270/Q2SB46F1
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50113302 (CHEMBL420925 | N-[1-(4-Hydroxy-phenylcarbamoyl)-2-...) Show SMILES Oc1ccc(NC(=O)C(\NC(=O)c2ccccc2)=C\c2c[nH]c3ccccc23)cc1 Show InChI InChI=1S/C24H19N3O3/c28-19-12-10-18(11-13-19)26-24(30)22(27-23(29)16-6-2-1-3-7-16)14-17-15-25-21-9-5-4-8-20(17)21/h1-15,25,28H,(H,26,30)(H,27,29)/b22-14-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.15E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Protein-tyrosine phosphatase 1B (PTP1B) dephosphorylation of insulin receptor peptide				J Med Chem 45: 2213-21 (2002) BindingDB Entry DOI: 10.7270/Q2SB46F1
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50113301 (4-(3-Benzyl-4-oxo-2-thioxo-thiazolidin-5-ylideneme...) Show SMILES [O-]C(=O)c1ccc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1 Show InChI InChI=1S/C18H13NO3S2/c20-16-15(10-12-6-8-14(9-7-12)17(21)22)24-18(23)19(16)11-13-4-2-1-3-5-13/h1-10H,11H2,(H,21,22)/p-1/b15-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Protein-tyrosine phosphatase 1B (PTP1B) dephosphorylation of insulin receptor peptide				J Med Chem 45: 2213-21 (2002) BindingDB Entry DOI: 10.7270/Q2SB46F1
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50113294 (2-[2-(5-Bromo-furan-2-carbonyloxy)-acetylamino]-be...) Show SMILES COC(=O)c1ccc2nc(NC(=O)COC(=O)c3ccc(Br)o3)sc2c1 Show InChI InChI=1S/C16H11BrN2O6S/c1-23-14(21)8-2-3-9-11(6-8)26-16(18-9)19-13(20)7-24-15(22)10-4-5-12(17)25-10/h2-6H,7H2,1H3,(H,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	3.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Protein-tyrosine phosphatase 1B (PTP1B) dephosphorylation of insulin receptor peptide				J Med Chem 45: 2213-21 (2002) BindingDB Entry DOI: 10.7270/Q2SB46F1
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50113300 (Acetic acid 4-(2-benzo[1,3]dioxol-5-yl-5-oxo-oxazo...) Show SMILES CCOc1cc(\C=C2\N=C(OC2=O)c2ccc3OCOc3c2)cc(Cl)c1OC(C)=O |c:8| Show InChI InChI=1S/C21H16ClNO7/c1-3-26-18-8-12(6-14(22)19(18)29-11(2)24)7-15-21(25)30-20(23-15)13-4-5-16-17(9-13)28-10-27-16/h4-9H,3,10H2,1-2H3/b15-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Protein-tyrosine phosphatase 1B (PTP1B) dephosphorylation of insulin receptor peptide				J Med Chem 45: 2213-21 (2002) BindingDB Entry DOI: 10.7270/Q2SB46F1
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50113298 (3,4-Dichloro-N-[4-(4-chloro-benzenesulfonyl)-5-met...) Show SMILES CSc1n[nH]c(NC(=O)c2ccc(Cl)c(Cl)c2)c1S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C17H12Cl3N3O3S2/c1-27-17-14(28(25,26)11-5-3-10(18)4-6-11)15(22-23-17)21-16(24)9-2-7-12(19)13(20)8-9/h2-8H,1H3,(H2,21,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	6.39E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Protein-tyrosine phosphatase 1B (PTP1B) dephosphorylation of insulin receptor peptide				J Med Chem 45: 2213-21 (2002) BindingDB Entry DOI: 10.7270/Q2SB46F1
					More data for this Ligand-Target Pair