Found 28 hits with Last Name = 'buirchell' and Initial = 'b' 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)) | BDBM50333649
((3R,6R)-6-((3S,5R,7R,8R,9S,10S,13R,14S,17R)-3-(3-(...)Show SMILES CC(C)[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)NCCCNCCCCNCCCN)OS(O)(=O)=O |r| Show InChI InChI=1S/C37H72N4O5S/c1-26(2)34(46-47(43,44)45)13-10-27(3)30-11-12-31-35-32(15-17-37(30,31)5)36(4)16-14-29(24-28(36)25-33(35)42)41-23-9-22-40-20-7-6-19-39-21-8-18-38/h26-35,39-42H,6-25,38H2,1-5H3,(H,43,44,45)/t27-,28-,29+,30-,31+,32+,33-,34-,35+,36+,37-/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 UniChem
Patents
| Article PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description Inhibition of full length PTP1B (unknown origin) by ELISA |
J Nat Prod 83: 1598-1610 (2020)
Article DOI: 10.1021/acs.jnatprod.0c00070 BindingDB Entry DOI: 10.7270/Q26113W3 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50541547
(CHEMBL4640620)Show InChI InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h9-10H,2-8,11-19H2,1H3,(H,21,22)/b10-9- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description Inhibition of PTP1B (unknown origin) using pNPP as substrate incubated for 30 mins by photometric method |
J Nat Prod 83: 1598-1610 (2020)
Article DOI: 10.1021/acs.jnatprod.0c00070 BindingDB Entry DOI: 10.7270/Q26113W3 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50463966
(CHEBI:28822 | Elcosanoic Acid)Show InChI InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE KEGG PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description Inhibition of PTP1B (unknown origin) using pNPP as substrate incubated for 30 mins by photometric method |
J Nat Prod 83: 1598-1610 (2020)
Article DOI: 10.1021/acs.jnatprod.0c00070 BindingDB Entry DOI: 10.7270/Q26113W3 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50209683
((R)-2-(4-(9-bromo-2,3-dimethylnaphtho[2,3-b]thioph...)Show SMILES Cc1sc2c(Br)c3ccccc3c(-c3cc(C)c(O[C@H](Cc4ccccc4)C(O)=O)c(C)c3)c2c1C Show InChI InChI=1S/C31H27BrO3S/c1-17-14-22(15-18(2)29(17)35-25(31(33)34)16-21-10-6-5-7-11-21)27-23-12-8-9-13-24(23)28(32)30-26(27)19(3)20(4)36-30/h5-15,25H,16H2,1-4H3,(H,33,34)/t25-/m1/s1 | 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 | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PTP1B (1 to 299 residues) expressed in Escherichia coli using pNPP as substrate preincubated for 30 mins followed by ... |
J Nat Prod 83: 1598-1610 (2020)
Article DOI: 10.1021/acs.jnatprod.0c00070 BindingDB Entry DOI: 10.7270/Q26113W3 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50240485
(18:0 | C18:0 | CH3-[CH2]16-COOH | CHEMBL46403 | Oc...)Show InChI InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description Inhibition of PTP1B (unknown origin) using pNPP as substrate incubated for 30 mins by photometric method |
J Nat Prod 83: 1598-1610 (2020)
Article DOI: 10.1021/acs.jnatprod.0c00070 BindingDB Entry DOI: 10.7270/Q26113W3 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50541544
(CHEMBL4646384)Show SMILES CCCCCCC[C@@H]1C=C(COC(C)=O)[C@H](\C=C\C(O)=O)[C@H]([C@@H]1CCCCCCC)C(\CO)=C\C=C\C(O)=O |r,t:8| Show InChI InChI=1S/C32H50O7/c1-4-6-8-10-12-15-25-21-27(23-39-24(3)34)29(19-20-31(37)38)32(26(22-33)16-14-18-30(35)36)28(25)17-13-11-9-7-5-2/h14,16,18-21,25,28-29,32-33H,4-13,15,17,22-23H2,1-3H3,(H,35,36)(H,37,38)/b18-14+,20-19+,26-16+/t25-,28-,29+,32+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate preincubated for 10 mins followed by ... |
J Nat Prod 83: 1598-1610 (2020)
Article DOI: 10.1021/acs.jnatprod.0c00070 BindingDB Entry DOI: 10.7270/Q26113W3 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50150484
((Z)-9-octadecenoic acid | (Z)-Octadec-9-enoic acid...)Show InChI InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 6.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description Inhibition of PTP1B (unknown origin) using pNPP as substrate incubated for 30 mins by photometric method |
J Nat Prod 83: 1598-1610 (2020)
Article DOI: 10.1021/acs.jnatprod.0c00070 BindingDB Entry DOI: 10.7270/Q26113W3 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50269531
((9Z)-hexadec-9-enoic acid | (Z)-9-hexadecenoic aci...)Show InChI InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 6.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description Inhibition of PTP1B (unknown origin) using pNPP as substrate incubated for 30 mins by photometric method |
J Nat Prod 83: 1598-1610 (2020)
Article DOI: 10.1021/acs.jnatprod.0c00070 BindingDB Entry DOI: 10.7270/Q26113W3 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50093526
(CHEMBL426373 | RK-682)Show SMILES CCCCCCCCCCCCCCCC(=O)C1=C(O)[C@@H](CO)OC1=O |r,c:17| 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/h18,22,24H,2-16H2,1H3/t18-/m1/s1 | 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 | 7.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate preincubated for 10 mins followed by ... |
J Nat Prod 83: 1598-1610 (2020)
Article DOI: 10.1021/acs.jnatprod.0c00070 BindingDB Entry DOI: 10.7270/Q26113W3 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50152850
(1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...)Show InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 8.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description Inhibition of PTP1B (unknown origin) using pNPP as substrate incubated for 30 mins by photometric method |
J Nat Prod 83: 1598-1610 (2020)
Article DOI: 10.1021/acs.jnatprod.0c00070 BindingDB Entry DOI: 10.7270/Q26113W3 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50541546
(CHEMBL4633514)Show SMILES CCCCCCC[C@@H]1C=C(COC(C)=O)[C@H](\C=C\C(O)=O)[C@H]([C@@H]1CCCCCCC)C(\COC(C)=O)=C\C=C\C(O)=O |r,t:8| Show InChI InChI=1S/C34H52O8/c1-5-7-9-11-13-16-27-22-29(24-42-26(4)36)31(20-21-33(39)40)34(30(27)18-14-12-10-8-6-2)28(23-41-25(3)35)17-15-19-32(37)38/h15,17,19-22,27,30-31,34H,5-14,16,18,23-24H2,1-4H3,(H,37,38)(H,39,40)/b19-15+,21-20+,28-17+/t27-,30-,31+,34+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate preincubated for 10 mins followed by ... |
J Nat Prod 83: 1598-1610 (2020)
Article DOI: 10.1021/acs.jnatprod.0c00070 BindingDB Entry DOI: 10.7270/Q26113W3 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50541545
(CHEMBL4640861)Show SMILES CCCCCCC[C@@H]1C=C(COC(C)=O)[C@H](\C=C\C(O)=O)[C@@H]([C@H]1CCCCCCC)C(\COC(C)=O)=C\C=C\C(O)=O |r,t:8| Show InChI InChI=1S/C34H52O8/c1-5-7-9-11-13-16-27-22-29(24-42-26(4)36)31(20-21-33(39)40)34(30(27)18-14-12-10-8-6-2)28(23-41-25(3)35)17-15-19-32(37)38/h15,17,19-22,27,30-31,34H,5-14,16,18,23-24H2,1-4H3,(H,37,38)(H,39,40)/b19-15+,21-20+,28-17+/t27-,30+,31+,34-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate preincubated for 10 mins followed by ... |
J Nat Prod 83: 1598-1610 (2020)
Article DOI: 10.1021/acs.jnatprod.0c00070 BindingDB Entry DOI: 10.7270/Q26113W3 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50614500
(CHEMBL233760)Show SMILES CCCCCCCCCCCCCCCC(=O)C1=C(O)C(CO)OC1=O |c:17| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 1.44E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50614498
(CHEMBL5276034)Show SMILES [#6]-[#6@@H](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-c1cccc2c(-[#8])cc(-[#6])cc12 |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 1.66E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50614495
(CHEMBL5290531)Show SMILES [H][C@]1([#6]-[#6]-[#6@@H](-[#6]-[#8])-c2c(-[#8])cc(-[#6])cc12)[#6@@H](-[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6] |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50541542
(CHEMBL4644049)Show SMILES CCCCCCC[C@@H]1C=C(CO)[C@H](\C=C\C(O)=O)[C@@H]([C@H]1CCCCCCC)C(\COC(C)=O)=C\C=C\C(O)=O |r,t:8| Show InChI InChI=1S/C32H50O7/c1-4-6-8-10-12-15-25-21-27(22-33)29(19-20-31(37)38)32(28(25)17-13-11-9-7-5-2)26(23-39-24(3)34)16-14-18-30(35)36/h14,16,18-21,25,28-29,32-33H,4-13,15,17,22-23H2,1-3H3,(H,35,36)(H,37,38)/b18-14+,20-19+,26-16+/t25-,28+,29+,32-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate preincubated for 10 mins followed by ... |
J Nat Prod 83: 1598-1610 (2020)
Article DOI: 10.1021/acs.jnatprod.0c00070 BindingDB Entry DOI: 10.7270/Q26113W3 |
More data for this Ligand-Target Pair | |
Maltase-glucoamylase
(Homo sapiens (Human)) | BDBM50614496
(CHEMBL5289765)Show SMILES [H][C@]1([#6]-[#6]-[#6@@H](-[#6]-[#8])-c2c(-[#8])cc(-[#6])cc12)[#6@@H](-[#6]-[#8])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6] |r| | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 2.84E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50541543
(CHEMBL4634430)Show SMILES CCCCCCC[C@@H]1C=C(COC(C)=O)[C@H](\C=C\C(O)=O)[C@@H]([C@H]1CCCCCCC)C(\CO)=C\C=C\C(O)=O |r,t:8| Show InChI InChI=1S/C32H50O7/c1-4-6-8-10-12-15-25-21-27(23-39-24(3)34)29(19-20-31(37)38)32(26(22-33)16-14-18-30(35)36)28(25)17-13-11-9-7-5-2/h14,16,18-21,25,28-29,32-33H,4-13,15,17,22-23H2,1-3H3,(H,35,36)(H,37,38)/b18-14+,20-19+,26-16+/t25-,28+,29+,32-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate preincubated for 10 mins followed by ... |
J Nat Prod 83: 1598-1610 (2020)
Article DOI: 10.1021/acs.jnatprod.0c00070 BindingDB Entry DOI: 10.7270/Q26113W3 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50541537
(CHEMBL4635432)Show InChI InChI=1S/C17H26O4/c1-3-4-5-6-7-8-9-11-16(14-21-15(2)18)12-10-13-17(19)20/h9-13H,3-8,14H2,1-2H3,(H,19,20)/b11-9+,13-10+,16-12+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate preincubated for 10 mins followed by ... |
J Nat Prod 83: 1598-1610 (2020)
Article DOI: 10.1021/acs.jnatprod.0c00070 BindingDB Entry DOI: 10.7270/Q26113W3 |
More data for this Ligand-Target Pair | |
Maltase-glucoamylase
(Homo sapiens (Human)) | BDBM50614495
(CHEMBL5290531)Show SMILES [H][C@]1([#6]-[#6]-[#6@@H](-[#6]-[#8])-c2c(-[#8])cc(-[#6])cc12)[#6@@H](-[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6] |r| | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 6.42E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50541541
(CHEMBL4637629)Show SMILES CCCCCCC\C=C\C(\COC(O)=O)=C\[C@@H]1[C@@H](\C=C\C(O)=O)C(COC(C)=O)=C[C@@H](CCCCCCC)[C@H]1C(O)=O |r,c:28| Show InChI InChI=1S/C33H50O9/c1-4-6-8-10-11-13-14-16-25(22-42-33(39)40)20-29-28(18-19-30(35)36)27(23-41-24(3)34)21-26(31(29)32(37)38)17-15-12-9-7-5-2/h14,16,18-21,26,28-29,31H,4-13,15,17,22-23H2,1-3H3,(H,35,36)(H,37,38)(H,39,40)/b16-14+,19-18+,25-20-/t26-,28+,29-,31-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate preincubated for 10 mins followed by ... |
J Nat Prod 83: 1598-1610 (2020)
Article DOI: 10.1021/acs.jnatprod.0c00070 BindingDB Entry DOI: 10.7270/Q26113W3 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50541540
(CHEMBL4639237)Show InChI InChI=1S/C15H24O2/c1-3-4-5-6-7-8-9-11-14(2)12-10-13-15(16)17/h9-13H,3-8H2,1-2H3,(H,16,17)/b11-9+,13-10+,14-12+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate preincubated for 10 mins followed by ... |
J Nat Prod 83: 1598-1610 (2020)
Article DOI: 10.1021/acs.jnatprod.0c00070 BindingDB Entry DOI: 10.7270/Q26113W3 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50614497
(CHEMBL5281667)Show SMILES [H][C@]1([#6]-[#6@H](-[#8])-[#6@@H](-[#6])-c2c(-[#8])cc(-[#6])cc12)[#6@@H](-[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6] |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 8.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50614499
(CHEMBL5290371)Show SMILES [H][C@@]1([#6@@H](-[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#6@H](-[#8])-[#6]-[#6@@H](-[#6])-c2c(-[#8])cc(-[#6])cc12 |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 1.05E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50541539
(CHEMBL4638022)Show InChI InChI=1S/C15H26O2/c1-3-4-5-6-7-8-9-11-14(2)12-10-13-15(16)17/h9,11H,2-8,10,12-13H2,1H3,(H,16,17)/b11-9+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.44E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate preincubated for 10 mins followed by ... |
J Nat Prod 83: 1598-1610 (2020)
Article DOI: 10.1021/acs.jnatprod.0c00070 BindingDB Entry DOI: 10.7270/Q26113W3 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50541536
(CHEMBL4633129)Show InChI InChI=1S/C15H24O3/c1-2-3-4-5-6-7-8-10-14(13-16)11-9-12-15(17)18/h8-12,16H,2-7,13H2,1H3,(H,17,18)/b10-8+,12-9+,14-11- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.63E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate preincubated for 10 mins followed by ... |
J Nat Prod 83: 1598-1610 (2020)
Article DOI: 10.1021/acs.jnatprod.0c00070 BindingDB Entry DOI: 10.7270/Q26113W3 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50541538
(CHEMBL4639645)Show InChI InChI=1S/C17H26O4/c1-3-4-5-6-7-8-9-11-16(14-21-15(2)18)12-10-13-17(19)20/h9-13H,3-8,14H2,1-2H3,(H,19,20)/b11-9+,13-10+,16-12- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.84E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate preincubated for 10 mins followed by ... |
J Nat Prod 83: 1598-1610 (2020)
Article DOI: 10.1021/acs.jnatprod.0c00070 BindingDB Entry DOI: 10.7270/Q26113W3 |
More data for this Ligand-Target Pair | |
Maltase-glucoamylase
(Homo sapiens (Human)) | BDBM23406
((3R,4R,5S,6R)-5-{[(2R,3R,4R,5S,6R)-5-{[(2R,3R,4S,5...)Show SMILES C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)OC(O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O |t:37| Show InChI InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23?,24-,25-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid PDB UniChem
Similars
| PDB
| n/a | n/a | 5.84E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | 3D Structure (crystal) |