Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Transthyretin' and Ligand = 'BDBM32020'   

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))	BDBM32020 (4-[4-(3,4-dihydroxyphenyl)-2,3-dimethyl-butyl]pyro...) Show SMILES CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1 Show InChI InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a
University of Toyama Curated by ChEMBL					Assay Description Inhibition of TTR V30M mutant (unknown origin) expressed in Escherichia coli assessed as inhibition of amyloid fibril formation by fluorescence assay				J Med Chem 57: 8928-35 (2014) Article DOI: 10.1021/jm500997m BindingDB Entry DOI: 10.7270/Q2KD20HH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transthyretin (Homo sapiens (Human))	BDBM32020 (4-[4-(3,4-dihydroxyphenyl)-2,3-dimethyl-butyl]pyro...) Show SMILES CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1 Show InChI InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a
University of Toyama Curated by ChEMBL					Assay Description Inhibition of TTR L55P mutant (unknown origin) expressed in Escherichia coli assessed as inhibition of amyloid fibril formation by fluorescence assay				J Med Chem 57: 8928-35 (2014) Article DOI: 10.1021/jm500997m BindingDB Entry DOI: 10.7270/Q2KD20HH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transthyretin (Homo sapiens (Human))	BDBM32020 (4-[4-(3,4-dihydroxyphenyl)-2,3-dimethyl-butyl]pyro...) Show SMILES CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1 Show InChI InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	8.50E+3	n/a	n/a	n/a	n/a
University of Toyama Curated by ChEMBL					Assay Description Inhibition of TTR I84T mutant (unknown origin) expressed in Escherichia coli assessed as inhibition of amyloid fibril formation by fluorescence assay				J Med Chem 57: 8928-35 (2014) Article DOI: 10.1021/jm500997m BindingDB Entry DOI: 10.7270/Q2KD20HH
					More data for this Ligand-Target Pair				3D Structure (crystal)