Found 10 hits of Enzyme Inhibition Constant Data 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)) | BDBM50294526
(CHEMBL551842 | cid_73157 | lobaric acid)Show SMILES CCCCCc1c2Oc3cc(OC)cc(C(=O)CCCC)c3C(=O)Oc2cc(O)c1C(O)=O Show InChI InChI=1S/C25H28O8/c1-4-6-8-9-15-21(24(28)29)18(27)13-20-23(15)32-19-12-14(31-3)11-16(17(26)10-7-5-2)22(19)25(30)33-20/h11-13,27H,4-10H2,1-3H3,(H,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 870 | n/a | n/a | n/a | n/a | n/a | n/a |
Silla University
Curated by ChEMBL
| Assay Description Inhibition of PTP1B |
Bioorg Med Chem Lett 19: 2801-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.108 BindingDB Entry DOI: 10.7270/Q20P10ZF |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50294527
(3-(1-butyl-1,6-dimethoxy-3-oxo-1,3-dihydroisobenzo...)Show SMILES CCCCCc1c(Oc2cc(OC)cc3c2C(=O)OC3(CCCC)OC)c(O)cc(O)c1C(O)=O Show InChI InChI=1S/C26H32O9/c1-5-7-9-10-16-21(24(29)30)18(27)14-19(28)23(16)34-20-13-15(32-3)12-17-22(20)25(31)35-26(17,33-4)11-8-6-2/h12-14,27-28H,5-11H2,1-4H3,(H,29,30) | 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 | 2.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Silla University
Curated by ChEMBL
| Assay Description Inhibition of PTP1B |
Bioorg Med Chem Lett 19: 2801-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.108 BindingDB Entry DOI: 10.7270/Q20P10ZF |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50294530
(CHEMBL559457 | methyl 8-hydroxy-3-methoxy-11-oxo-1...)Show SMILES CCCCCc1c2Oc3cc(OC)cc(C(=O)CCCC)c3C(=O)Oc2cc(O)c1C(=O)OC Show InChI InChI=1S/C26H30O8/c1-5-7-9-10-16-22(25(29)32-4)19(28)14-21-24(16)33-20-13-15(31-3)12-17(18(27)11-8-6-2)23(20)26(30)34-21/h12-14,28H,5-11H2,1-4H3 | 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 | 3.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Silla University
Curated by ChEMBL
| Assay Description Inhibition of PTP1B |
Bioorg Med Chem Lett 19: 2801-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.108 BindingDB Entry DOI: 10.7270/Q20P10ZF |
More data for this Ligand-Target Pair | |
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 | 3.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Silla University
Curated by ChEMBL
| Assay Description Inhibition of PTP1B |
Bioorg Med Chem Lett 19: 2801-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.108 BindingDB Entry DOI: 10.7270/Q20P10ZF |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50294525
(3-butyl-7-(2,4-dihydroxy-6-pentylphenoxy)-3,5-dime...)Show SMILES CCCCCc1cc(O)cc(O)c1Oc1cc(OC)cc2c1C(=O)OC2(CCCC)OC Show InChI InChI=1S/C25H32O7/c1-5-7-9-10-16-12-17(26)13-20(27)23(16)31-21-15-18(29-3)14-19-22(21)24(28)32-25(19,30-4)11-8-6-2/h12-15,26-27H,5-11H2,1-4H3 | 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 | 6.86E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Silla University
Curated by ChEMBL
| Assay Description Inhibition of PTP1B |
Bioorg Med Chem Lett 19: 2801-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.108 BindingDB Entry DOI: 10.7270/Q20P10ZF |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50294531
(CHEMBL562970 | methyl 3,8-dimethoxy-11-oxo-1-penta...)Show SMILES CCCCCc1c2Oc3cc(OC)cc(C(=O)CCCC)c3C(=O)Oc2cc(OC)c1C(=O)OC Show InChI InChI=1S/C27H32O8/c1-6-8-10-11-17-23(26(29)33-5)20(32-4)15-22-25(17)34-21-14-16(31-3)13-18(19(28)12-9-7-2)24(21)27(30)35-22/h13-15H,6-12H2,1-5H3 | 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 | 7.42E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Silla University
Curated by ChEMBL
| Assay Description Inhibition of PTP1B |
Bioorg Med Chem Lett 19: 2801-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.108 BindingDB Entry DOI: 10.7270/Q20P10ZF |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50056919
(3-hydroxy-4-(methoxycarbonyl)-2,5-dimethylphenyl 3...)Show SMILES COC(=O)c1c(C)cc(OC(=O)c2c(C)cc(O)c(C=O)c2O)c(C)c1O Show InChI InChI=1S/C19H18O8/c1-8-5-12(21)11(7-20)17(23)15(8)19(25)27-13-6-9(2)14(18(24)26-4)16(22)10(13)3/h5-7,21-23H,1-4H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 6.35E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Silla University
Curated by ChEMBL
| Assay Description Inhibition of PTP1B |
Bioorg Med Chem Lett 19: 2801-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.108 BindingDB Entry DOI: 10.7270/Q20P10ZF |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50294528
(CHEMBL454431 | methyl 2,4-dihydroxy-6-methylbenzoa...)Show InChI InChI=1S/C9H10O4/c1-5-3-6(10)4-7(11)8(5)9(12)13-2/h3-4,10-11H,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Silla University
Curated by ChEMBL
| Assay Description Inhibition of PTP1B |
Bioorg Med Chem Lett 19: 2801-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.108 BindingDB Entry DOI: 10.7270/Q20P10ZF |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50294529
(1-(2,6-dihydroxy-4-methoxy-3-methylphenyl)ethanone...)Show InChI InChI=1S/C10H12O4/c1-5-8(14-3)4-7(12)9(6(2)11)10(5)13/h4,12-13H,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Silla University
Curated by ChEMBL
| Assay Description Inhibition of PTP1B |
Bioorg Med Chem Lett 19: 2801-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.108 BindingDB Entry DOI: 10.7270/Q20P10ZF |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50241521
(CHEMBL470649 | methyl 3-formyl-2,4-dihydroxy-6-met...)Show InChI InChI=1S/C10H10O5/c1-5-3-7(12)6(4-11)9(13)8(5)10(14)15-2/h3-4,12-13H,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Silla University
Curated by ChEMBL
| Assay Description Inhibition of PTP1B |
Bioorg Med Chem Lett 19: 2801-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.108 BindingDB Entry DOI: 10.7270/Q20P10ZF |
More data for this Ligand-Target Pair | |