null

SMILES: Oc1cc(cc(c1O)[N+]([O-])=O)C(=O)c1ccccc1F

InChI Key: InChIKey=RQPAUNZYTYHKHA-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 138363   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Transthyretin (Homo sapiens (Human))	BDBM138363 (US10278929, Compound Ro-41-0960 | US11337935, Comp...) Show SMILES Oc1cc(cc(c1O)[N+]([O-])=O)C(=O)c1ccccc1F Show InChI InChI=1S/C13H8FNO5/c14-9-4-2-1-3-8(9)12(17)7-5-10(15(19)20)13(18)11(16)6-7/h1-6,16,18H	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	755	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				3D Structure (crystal)
Transthyretin (Homo sapiens (Human))	BDBM138363 (US10278929, Compound Ro-41-0960 | US11337935, Comp...) Show SMILES Oc1cc(cc(c1O)[N+]([O-])=O)C(=O)c1ccccc1F Show InChI InChI=1S/C13H8FNO5/c14-9-4-2-1-3-8(9)12(17)7-5-10(15(19)20)13(18)11(16)6-7/h1-6,16,18H	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	755	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				3D Structure (crystal)
Transthyretin (Homo sapiens (Human))	BDBM138363 (US10278929, Compound Ro-41-0960 | US11337935, Comp...) Show SMILES Oc1cc(cc(c1O)[N+]([O-])=O)C(=O)c1ccccc1F Show InChI InChI=1S/C13H8FNO5/c14-9-4-2-1-3-8(9)12(17)7-5-10(15(19)20)13(18)11(16)6-7/h1-6,16,18H	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	n/a	184	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				3D Structure (crystal)
Transthyretin (Homo sapiens (Human))	BDBM138363 (US10278929, Compound Ro-41-0960 | US11337935, Comp...) Show SMILES Oc1cc(cc(c1O)[N+]([O-])=O)C(=O)c1ccccc1F Show InChI InChI=1S/C13H8FNO5/c14-9-4-2-1-3-8(9)12(17)7-5-10(15(19)20)13(18)11(16)6-7/h1-6,16,18H	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	755	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				3D Structure (crystal)

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 138363

Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
Transthyretin (Homo sapiens (Human))	BDBM138363 (US10278929, Compound Ro-41-0960 | US11337935, Comp...)	GoogleScholar PDB	PC cid PC sid PDB		-9.17	4.27	-13.5	6.73	7.5	25
TBA					Details of this binding reaction