Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Transthyretin' and Ligand = 'BDBM85507'   

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))	BDBM85507 (CAS_4394-00-7 | NSC_4488 | Niflumic acid | Niflumi...) Show SMILES OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11/h1-7H,(H,17,18)(H,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	US Patent	n/a	n/a	289	n/a	n/a	n/a	n/a	n/a	n/a
The Board of Trustees of the Leland Stanford Junior University US Patent					Assay Description The FP assay was then adapted for HTS and used to screen ~120,000 small molecule library for compounds that displaced probe 5 from the T4 binding of ...				US Patent US8877795 (2014) BindingDB Entry DOI: 10.7270/Q2HT2N1M
					More data for this Ligand-Target Pair
Transthyretin (Homo sapiens (Human))	BDBM85507 (CAS_4394-00-7 | NSC_4488 | Niflumic acid | Niflumi...) Show SMILES OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11/h1-7H,(H,17,18)(H,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	US Patent	n/a	n/a	289	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Table 3: The FP assay was then adapted for HTS and used to screen 120,000 small molecule library for compounds that displaced probe 5 from the T4 bin...				Citation and Details BindingDB Entry DOI: 10.7270/Q2J67M4J
					More data for this Ligand-Target Pair
Transthyretin (Homo sapiens (Human))	BDBM85507 (CAS_4394-00-7 | NSC_4488 | Niflumic acid | Niflumi...) Show SMILES OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11/h1-7H,(H,17,18)(H,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	US Patent	n/a	n/a	289	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck					Assay Description The FP assay was then adapted for HTS and used to screen a ˜120,000 member small molecule library for compounds that displaced the FP probe from the ...				Bioorg Med Chem Lett 18: 3456-61 (2008) BindingDB Entry DOI: 10.7270/Q2H70J43
					More data for this Ligand-Target Pair
Transthyretin (Homo sapiens (Human))	BDBM85507 (CAS_4394-00-7 | NSC_4488 | Niflumic acid | Niflumi...) Show SMILES OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11/h1-7H,(H,17,18)(H,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	1.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Binding affinity to TTR in human plasma assessed as protein stabilization preincubated for 1 hr followed by urea-mediated denaturation by Western blo...				J Med Chem 58: 6507-15 (2015) Article DOI: 10.1021/acs.jmedchem.5b00544 BindingDB Entry DOI: 10.7270/Q2P84DP1
					More data for this Ligand-Target Pair
Transthyretin (Homo sapiens (Human))	BDBM85507 (CAS_4394-00-7 | NSC_4488 | Niflumic acid | Niflumi...) Show SMILES OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11/h1-7H,(H,17,18)(H,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	US Patent	n/a	n/a	n/a	592	n/a	n/a	n/a	n/a	n/a
IRBM/Merck					Assay Description Dissociation Constants (Kd) associated with the binding of ligands to TTR are expressed in nM. Thermodynamic Binding Parameters associated with ligan...				Bioorg Med Chem Lett 18: 3456-61 (2008) BindingDB Entry DOI: 10.7270/Q2H70J43
					More data for this Ligand-Target Pair
Transthyretin (Homo sapiens (Human))	BDBM85507 (CAS_4394-00-7 | NSC_4488 | Niflumic acid | Niflumi...) Show SMILES OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11/h1-7H,(H,17,18)(H,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Binding affinity to TTR (unknown origin) by isothermal titration calorimetric analysis				J Med Chem 58: 6507-15 (2015) Article DOI: 10.1021/acs.jmedchem.5b00544 BindingDB Entry DOI: 10.7270/Q2P84DP1
					More data for this Ligand-Target Pair