Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for entry = 50020416   

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))	BDBM50213492 (2-[2',4'-dihydroxy-3'-(3-methylbut-2-enyl)phenyl]-...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc(-c2cc3ccc(-[#8])cc3o2)c1-[#8] Show InChI InChI=1S/C19H18O4/c1-11(2)3-6-14-16(21)8-7-15(19(14)22)18-9-12-4-5-13(20)10-17(12)23-18/h3-5,7-10,20-22H,6H2,1-2H3	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	1.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Inhibition of PTP1B				Bioorg Med Chem Lett 17: 3868-71 (2007) Article DOI: 10.1016/j.bmcl.2007.05.005 BindingDB Entry DOI: 10.7270/Q29W0F6F
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50213493 (2-(2'-methoxy-4'-hydroxyphenyl)-5-(3-methylbut-2-e...) Show SMILES [#6]-[#8]-c1cc(-[#8])ccc1-c1cc2cc(-[#6]\[#6]=[#6](/[#6])-[#6])c(-[#8])cc2o1 Show InChI InChI=1S/C20H20O4/c1-12(2)4-5-13-8-14-9-20(24-18(14)11-17(13)22)16-7-6-15(21)10-19(16)23-3/h4,6-11,21-22H,5H2,1-3H3	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
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Inhibition of PTP1B				Bioorg Med Chem Lett 17: 3868-71 (2007) Article DOI: 10.1016/j.bmcl.2007.05.005 BindingDB Entry DOI: 10.7270/Q29W0F6F
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50213490 (2-[2'-methoxy-4'-hydroxy-5'-(3-methylbut-2-enyl)ph...) Show SMILES [#6]-[#8]-c1cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])cc1-c1cc2ccc(-[#8])cc2o1 Show InChI InChI=1S/C20H20O4/c1-12(2)4-5-13-8-16(19(23-3)11-17(13)22)20-9-14-6-7-15(21)10-18(14)24-20/h4,6-11,21-22H,5H2,1-3H3	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	1.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Inhibition of PTP1B				Bioorg Med Chem Lett 17: 3868-71 (2007) Article DOI: 10.1016/j.bmcl.2007.05.005 BindingDB Entry DOI: 10.7270/Q29W0F6F
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50213494 (8-(6-hydroxybenzofuran-2-yl)-2,2-dimethyl-2H-chrom...) Show SMILES CC1(C)Oc2c(ccc(O)c2C=C1)-c1cc2ccc(O)cc2o1 |c:12| Show InChI InChI=1S/C19H16O4/c1-19(2)8-7-13-15(21)6-5-14(18(13)23-19)17-9-11-3-4-12(20)10-16(11)22-17/h3-10,20-21H,1-2H3	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	6.27E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Inhibition of PTP1B				Bioorg Med Chem Lett 17: 3868-71 (2007) Article DOI: 10.1016/j.bmcl.2007.05.005 BindingDB Entry DOI: 10.7270/Q29W0F6F
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50213491 (6-(6-hydroxybenzofuran-2-yl)-2,2-dimethyl-2H-chrom...) Show SMILES CC1(C)Oc2ccc(-c3cc4ccc(O)cc4o3)c(O)c2C=C1 |c:24| Show InChI InChI=1S/C19H16O4/c1-19(2)8-7-14-15(23-19)6-5-13(18(14)21)17-9-11-3-4-12(20)10-16(11)22-17/h3-10,20-21H,1-2H3	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	6.49E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Inhibition of PTP1B				Bioorg Med Chem Lett 17: 3868-71 (2007) Article DOI: 10.1016/j.bmcl.2007.05.005 BindingDB Entry DOI: 10.7270/Q29W0F6F
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50213495 (3-methoxy-4-(6-methoxybenzofuran-2-yl)phenol | CHE...) Show SMILES COc1ccc2cc(oc2c1)-c1ccc(O)cc1OC Show InChI InChI=1S/C16H14O4/c1-18-12-5-3-10-7-16(20-14(10)9-12)13-6-4-11(17)8-15(13)19-2/h3-9,17H,1-2H3	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	7.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Inhibition of PTP1B				Bioorg Med Chem Lett 17: 3868-71 (2007) Article DOI: 10.1016/j.bmcl.2007.05.005 BindingDB Entry DOI: 10.7270/Q29W0F6F
					More data for this Ligand-Target Pair