Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with all data for entry = 50037890   

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))	BDBM50148911 ((3beta)-3-hydroxyurs-12-en-28-oic acid | 3beta-hyd...) Show SMILES C[C@@H]1CC[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]2[C@H]1C)C(O)=O |r,c:9| Show InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.60E+3	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 human recombinant PTP1B				J Nat Prod 70: 1039-42 (2007) Article DOI: 10.1021/np060477+ BindingDB Entry DOI: 10.7270/Q2KH0P5K
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50104694 ((R)-4-hydroxy-5-(hydroxymethyl)-3-palmitoylfuran-2...) Show SMILES CCCCCCCCCCCCCCCC(=O)c1c(O)oc(CO)c1O Show InChI InChI=1S/C21H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(23)19-20(24)18(16-22)26-21(19)25/h22,24-25H,2-16H2,1H3	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	4.50E+3	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 human recombinant PTP1B				J Nat Prod 70: 1039-42 (2007) Article DOI: 10.1021/np060477+ BindingDB Entry DOI: 10.7270/Q2KH0P5K
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50212398 (CHEMBL229222 | sigmoidin F) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c2-[#8]C([#6])([#6])[#6]=[#6]-c2cc1-[#6@H]-1-[#6]-[#6](=O)-c2c(-[#8])cc(-[#8])cc2-[#8]-1 |c:13| Show InChI InChI=1S/C25H26O6/c1-13(2)5-6-16-17(9-14-7-8-25(3,4)31-24(14)23(16)29)20-12-19(28)22-18(27)10-15(26)11-21(22)30-20/h5,7-11,20,26-27,29H,6,12H2,1-4H3/t20-/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	1.42E+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 human recombinant PTP1B				J Nat Prod 70: 1039-42 (2007) Article DOI: 10.1021/np060477+ BindingDB Entry DOI: 10.7270/Q2KH0P5K
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50212392 (CHEMBL229506 | sigmoidin A) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(-[#6@@H]-2-[#6]-[#6](=O)-c3c(-[#8])cc(-[#8])cc3-[#8]-2)c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c1-[#8] Show InChI InChI=1S/C25H28O6/c1-13(2)5-7-15-9-18(17(8-6-14(3)4)25(30)24(15)29)21-12-20(28)23-19(27)10-16(26)11-22(23)31-21/h5-6,9-11,21,26-27,29-30H,7-8,12H2,1-4H3/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.44E+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 human recombinant PTP1B				J Nat Prod 70: 1039-42 (2007) Article DOI: 10.1021/np060477+ BindingDB Entry DOI: 10.7270/Q2KH0P5K
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50212393 (CHEMBL229220 | abyssinoflavanone VII) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(cc(-[#6]-[#6](-[#8])-[#6](-[#6])=[#6])c1-[#8])-[#6@@H]-1-[#6]-[#6](=O)-c2c(-[#8])cc(-[#8])cc2-[#8]-1 |r| Show InChI InChI=1S/C25H28O6/c1-13(2)5-6-15-7-16(8-17(25(15)30)9-19(27)14(3)4)22-12-21(29)24-20(28)10-18(26)11-23(24)31-22/h5,7-8,10-11,19,22,26-28,30H,3,6,9,12H2,1-2,4H3/t19?,22-/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
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B				J Nat Prod 70: 1039-42 (2007) Article DOI: 10.1021/np060477+ BindingDB Entry DOI: 10.7270/Q2KH0P5K
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50212400 (1-(2,4-Dihydroxyphenyl)-3-[4-hydroxy-3-(3-methylbu...) Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-c1cc(\[#6]=[#6]\[#6](=O)-c2ccc(-[#8])cc2-[#8])ccc1-[#8] Show InChI InChI=1S/C20H20O4/c1-13(2)3-6-15-11-14(4-9-18(15)22)5-10-19(23)17-8-7-16(21)12-20(17)24/h3-5,7-12,21-22,24H,6H2,1-2H3/b10-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.69E+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 human recombinant PTP1B				J Nat Prod 70: 1039-42 (2007) Article DOI: 10.1021/np060477+ BindingDB Entry DOI: 10.7270/Q2KH0P5K
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50212397 (CHEMBL388722 | abyssinin II) Show SMILES [#6]-[#8]-c1cc(cc(-[#6]\[#6]=[#6](\[#6])-[#6])c1-[#8])-[#6@@H]-1-[#6]-[#6](=O)-c2c(-[#8])cc(-[#8])cc2-[#8]-1 Show InChI InChI=1S/C21H22O6/c1-11(2)4-5-12-6-13(7-19(26-3)21(12)25)17-10-16(24)20-15(23)8-14(22)9-18(20)27-17/h4,6-9,17,22-23,25H,5,10H2,1-3H3/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.73E+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 human recombinant PTP1B				J Nat Prod 70: 1039-42 (2007) Article DOI: 10.1021/np060477+ BindingDB Entry DOI: 10.7270/Q2KH0P5K
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50212390 (CHEMBL389736 | abyssinin I) Show SMILES COc1cc(cc2C=CC(C)(C)Oc12)C1CC(=O)c2c(O)cc(O)cc2O1 |c:7| Show InChI InChI=1S/C21H20O6/c1-21(2)5-4-11-6-12(7-18(25-3)20(11)27-21)16-10-15(24)19-14(23)8-13(22)9-17(19)26-16/h4-9,16,22-23H,10H2,1-3H3	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	1.82E+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 human recombinant PTP1B				J Nat Prod 70: 1039-42 (2007) Article DOI: 10.1021/np060477+ BindingDB Entry DOI: 10.7270/Q2KH0P5K
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50212389 (CHEMBL389650 | abyssinoflavanone VI) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(cc2ccoc12)-[#6@@H]-1-[#6]-[#6](=O)-c2c(-[#8])cc(-[#8])cc2-[#8]-1 Show InChI InChI=1S/C22H20O5/c1-12(2)3-4-13-7-15(8-14-5-6-26-22(13)14)19-11-18(25)21-17(24)9-16(23)10-20(21)27-19/h3,5-10,19,23-24H,4,11H2,1-2H3/t19-/m0/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	1.89E+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 human recombinant PTP1B				J Nat Prod 70: 1039-42 (2007) Article DOI: 10.1021/np060477+ BindingDB Entry DOI: 10.7270/Q2KH0P5K
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50212391 (5-deoxyabyssinin II | CHEMBL229670) Show SMILES [#6]-[#8]-c1cc(cc(-[#6]\[#6]=[#6](\[#6])-[#6])c1-[#8])-[#6@@H]-1-[#6]-[#6](=O)-c2ccc(-[#8])cc2-[#8]-1 Show InChI InChI=1S/C21H22O5/c1-12(2)4-5-13-8-14(9-20(25-3)21(13)24)18-11-17(23)16-7-6-15(22)10-19(16)26-18/h4,6-10,18,22,24H,5,11H2,1-3H3/t18-/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	1.92E+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 human recombinant PTP1B				J Nat Prod 70: 1039-42 (2007) Article DOI: 10.1021/np060477+ BindingDB Entry DOI: 10.7270/Q2KH0P5K
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50212399 (CHEMBL229454 | sigmoidin B) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(cc(-[#8])c1-[#8])-[#6@@H]-1-[#6]-[#6](=O)-c2c(-[#8])cc(-[#8])cc2-[#8]-1 Show InChI InChI=1S/C20H20O6/c1-10(2)3-4-11-5-12(6-16(24)20(11)25)17-9-15(23)19-14(22)7-13(21)8-18(19)26-17/h3,5-8,17,21-22,24-25H,4,9H2,1-2H3/t17-/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	1.94E+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 human recombinant PTP1B				J Nat Prod 70: 1039-42 (2007) Article DOI: 10.1021/np060477+ BindingDB Entry DOI: 10.7270/Q2KH0P5K
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50370984 (Abyssinone Vi | CHEMBL508727) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(\[#6]=[#6]\[#6](=O)-c2ccc(-[#8])cc2-[#8])cc(-[#6]\[#6]=[#6](\[#6])-[#6])c1-[#8] Show InChI InChI=1S/C25H28O4/c1-16(2)5-8-19-13-18(14-20(25(19)29)9-6-17(3)4)7-12-23(27)22-11-10-21(26)15-24(22)28/h5-7,10-15,26,28-29H,8-9H2,1-4H3/b12-7+	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	2.06E+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 human recombinant PTP1B				J Nat Prod 70: 1039-42 (2007) Article DOI: 10.1021/np060477+ BindingDB Entry DOI: 10.7270/Q2KH0P5K
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50212401 (3'-prenylnaringenin | CHEMBL229671) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(ccc1-[#8])-c1cc(=O)c2c(-[#8])cc(-[#8])cc2o1 Show InChI InChI=1S/C20H18O5/c1-11(2)3-4-12-7-13(5-6-15(12)22)18-10-17(24)20-16(23)8-14(21)9-19(20)25-18/h3,5-10,21-23H,4H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.67E+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 human recombinant PTP1B				J Nat Prod 70: 1039-42 (2007) Article DOI: 10.1021/np060477+ BindingDB Entry DOI: 10.7270/Q2KH0P5K
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50212396 (CHEMBL229617 | sigmoidin C) Show SMILES CC1(C)Oc2c(O)cc(cc2C=C1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 |c:12| Show InChI InChI=1S/C20H18O6/c1-20(2)4-3-10-5-11(6-15(24)19(10)26-20)16-9-14(23)18-13(22)7-12(21)8-17(18)25-16/h3-8,16,21-22,24H,9H2,1-2H3/t16-/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	>6.00E+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 human recombinant PTP1B				J Nat Prod 70: 1039-42 (2007) Article DOI: 10.1021/np060477+ BindingDB Entry DOI: 10.7270/Q2KH0P5K
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50212394 (2S-5,7-dihydroxy-2'',2''-dimethylpyrano[5'',6'':3'...) Show SMILES CC1(C)Oc2ccc(cc2C=C1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 |c:11| Show InChI InChI=1S/C20H18O5/c1-20(2)6-5-12-7-11(3-4-16(12)25-20)17-10-15(23)19-14(22)8-13(21)9-18(19)24-17/h3-9,17,21-22H,10H2,1-2H3/t17-/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	>6.00E+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 human recombinant PTP1B				J Nat Prod 70: 1039-42 (2007) Article DOI: 10.1021/np060477+ BindingDB Entry DOI: 10.7270/Q2KH0P5K
					More data for this Ligand-Target Pair