Found 12 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 |
Transthyretin
(Homo sapiens (Human)) | BDBM50108877
((3,4-Dihydroxy-5-nitro-phenyl)-p-tolyl-methanone |...)Show SMILES Cc1ccc(cc1)C(=O)c1cc(O)c(O)c(c1)[N+]([O-])=O Show InChI InChI=1S/C14H11NO5/c1-8-2-4-9(5-3-8)13(17)10-6-11(15(19)20)14(18)12(16)7-10/h2-7,16,18H,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a |
University of the Pacific
Curated by ChEMBL
| Assay Description Binding affinity to transthyretin (unknown origin) by ITC method |
J Med Chem 61: 7862-7876 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00817 BindingDB Entry DOI: 10.7270/Q2KP84SS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Transthyretin
(Homo sapiens (Human)) | BDBM50197883
(CHEBI:78538 | FX-1006 | Tafamidis | US10377729, Co...)Show InChI InChI=1S/C14H7Cl2NO3/c15-9-3-8(4-10(16)6-9)13-17-11-2-1-7(14(18)19)5-12(11)20-13/h1-6H,(H,18,19) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 4.40 | n/a | n/a | n/a | n/a | n/a |
University of the Pacific
Curated by ChEMBL
| Assay Description Binding affinity to transthyretin (unknown origin) by ITC method |
J Med Chem 61: 7862-7876 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00817 BindingDB Entry DOI: 10.7270/Q2KP84SS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Albumin
(Homo sapiens (Human)) | BDBM50197883
(CHEBI:78538 | FX-1006 | Tafamidis | US10377729, Co...)Show InChI InChI=1S/C14H7Cl2NO3/c15-9-3-8(4-10(16)6-9)13-17-11-2-1-7(14(18)19)5-12(11)20-13/h1-6H,(H,18,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a |
University of the Pacific
Curated by ChEMBL
| Assay Description Binding affinity to human serum albumin by ITC method |
J Med Chem 61: 7862-7876 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00817 BindingDB Entry DOI: 10.7270/Q2KP84SS |
More data for this Ligand-Target Pair | |
Transthyretin
(Homo sapiens (Human)) | BDBM50459084
(CHEMBL4205939)Show InChI InChI=1S/C17H21FN2O3/c1-3-14-12(15(4-2)20-19-14)6-5-9-23-16-10-11(17(21)22)7-8-13(16)18/h7-8,10H,3-6,9H2,1-2H3,(H,19,20)(H,21,22) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 1.25E+3 | n/a | n/a | n/a | n/a | n/a |
University of the Pacific
Curated by ChEMBL
| Assay Description Binding affinity to transthyretin (unknown origin) by ITC method |
J Med Chem 61: 7862-7876 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00817 BindingDB Entry DOI: 10.7270/Q2KP84SS |
More data for this Ligand-Target Pair | |
Transthyretin
(Homo sapiens (Human)) | BDBM50459082
(CHEMBL4218173)Show InChI InChI=1S/C16H19FN2O3/c1-10-13(11(2)19-18-10)5-4-8-22-15-9-12(16(20)21-3)6-7-14(15)17/h6-7,9H,4-5,8H2,1-3H3,(H,18,19) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 258 | n/a | n/a | n/a | n/a | n/a |
University of the Pacific
Curated by ChEMBL
| Assay Description Binding affinity to transthyretin (unknown origin) by ITC method |
J Med Chem 61: 7862-7876 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00817 BindingDB Entry DOI: 10.7270/Q2KP84SS |
More data for this Ligand-Target Pair | |
Transthyretin
(Homo sapiens (Human)) | BDBM50108877
((3,4-Dihydroxy-5-nitro-phenyl)-p-tolyl-methanone |...)Show SMILES Cc1ccc(cc1)C(=O)c1cc(O)c(O)c(c1)[N+]([O-])=O Show InChI InChI=1S/C14H11NO5/c1-8-2-4-9(5-3-8)13(17)10-6-11(15(19)20)14(18)12(16)7-10/h2-7,16,18H,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a |
University of the Pacific
Curated by ChEMBL
| Assay Description Binding affinity to transthyretin V122I mutant (unknown origin) by ITC method |
J Med Chem 61: 7862-7876 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00817 BindingDB Entry DOI: 10.7270/Q2KP84SS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Albumin
(Homo sapiens (Human)) | BDBM50197885
(CHEMBL3940890)Show InChI InChI=1S/C15H17FN2O3/c1-9-12(10(2)18-17-9)4-3-7-21-14-8-11(15(19)20)5-6-13(14)16/h5-6,8H,3-4,7H2,1-2H3,(H,17,18)(H,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a |
University of the Pacific
Curated by ChEMBL
| Assay Description Binding affinity to human serum albumin by ITC method |
J Med Chem 61: 7862-7876 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00817 BindingDB Entry DOI: 10.7270/Q2KP84SS |
More data for this Ligand-Target Pair | |
Transthyretin
(Homo sapiens (Human)) | BDBM50240510
(CHEMBL898 | DIFLUNISAL)Show InChI InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
| DrugBank PDB Article PubMed
| n/a | n/a | n/a | 407 | n/a | n/a | n/a | n/a | n/a |
University of the Pacific
Curated by ChEMBL
| Assay Description Binding affinity to transthyretin (unknown origin) by ITC method |
J Med Chem 61: 7862-7876 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00817 BindingDB Entry DOI: 10.7270/Q2KP84SS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Transthyretin
(Homo sapiens (Human)) | BDBM50459081
(CHEMBL4206443)Show InChI InChI=1S/C15H17IN2O3/c1-9-12(10(2)18-17-9)4-3-7-21-14-8-11(15(19)20)5-6-13(14)16/h5-6,8H,3-4,7H2,1-2H3,(H,17,18)(H,19,20) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a |
University of the Pacific
Curated by ChEMBL
| Assay Description Binding affinity to transthyretin (unknown origin) by ITC method |
J Med Chem 61: 7862-7876 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00817 BindingDB Entry DOI: 10.7270/Q2KP84SS |
More data for this Ligand-Target Pair | |
Albumin
(Homo sapiens (Human)) | BDBM50197883
(CHEBI:78538 | FX-1006 | Tafamidis | US10377729, Co...)Show InChI InChI=1S/C14H7Cl2NO3/c15-9-3-8(4-10(16)6-9)13-17-11-2-1-7(14(18)19)5-12(11)20-13/h1-6H,(H,18,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a |
University of the Pacific
Curated by ChEMBL
| Assay Description Binding affinity to human serum albumin |
J Med Chem 61: 7862-7876 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00817 BindingDB Entry DOI: 10.7270/Q2KP84SS |
More data for this Ligand-Target Pair | |
Transthyretin
(Homo sapiens (Human)) | BDBM50197885
(CHEMBL3940890)Show InChI InChI=1S/C15H17FN2O3/c1-9-12(10(2)18-17-9)4-3-7-21-14-8-11(15(19)20)5-6-13(14)16/h5-6,8H,3-4,7H2,1-2H3,(H,17,18)(H,19,20) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a |
University of the Pacific
Curated by ChEMBL
| Assay Description Binding affinity to transthyretin (unknown origin) by ITC method |
J Med Chem 61: 7862-7876 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00817 BindingDB Entry DOI: 10.7270/Q2KP84SS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Transthyretin
(Homo sapiens (Human)) | BDBM50459083
(CHEMBL4210824)Show InChI InChI=1S/C16H19FN2O3/c1-10-13(11(2)19(3)18-10)5-4-8-22-15-9-12(16(20)21)6-7-14(15)17/h6-7,9H,4-5,8H2,1-3H3,(H,20,21) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 251 | n/a | n/a | n/a | n/a | n/a |
University of the Pacific
Curated by ChEMBL
| Assay Description Binding affinity to transthyretin (unknown origin) by ITC method |
J Med Chem 61: 7862-7876 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00817 BindingDB Entry DOI: 10.7270/Q2KP84SS |
More data for this Ligand-Target Pair | |