Compile Data Set for Download or QSAR

Found 36 hits with Last Name = 'forest' and Initial = 'kt'   

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
Probable UDP-galactopyranose mutase (Klebsiella pneumoniae (Enterobacteria))	BDBM163663 (2‐[6‐(4‐Chlorophenyl)‐3...) Show SMILES [O-]C(=O)CC1Sc2nnc(-c3cccs3)n2N=C1c1ccc(Cl)cc1 |c:18| Show InChI InChI=1S/C16H11ClN4O2S2/c17-10-5-3-9(4-6-10)14-12(8-13(22)23)25-16-19-18-15(21(16)20-14)11-2-1-7-24-11/h1-7,12H,8H2,(H,22,23)/p-1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	8.00E+3	-28.8	n/a	n/a	n/a	n/a	n/a	n/a	22
University of Wisconsin-Madison					Assay Description Reactions were performed in duplicate at 22ºC in 50 mM NaH2PO4 buffer (pH 7) with 20 nM enzyme and 20 mM fresh sodium dithionite. Small molecules wer...				ACS Chem Biol 10: 2209-18 (2015) Article DOI: 10.1021/acschembio.5b00370 BindingDB Entry DOI: 10.7270/Q2FQ9VB4
					More data for this Ligand-Target Pair
UDP-galactopyranose mutase (Caenorhabditis elegans (Roundworm))	BDBM163663 (2‐[6‐(4‐Chlorophenyl)‐3...) Show SMILES [O-]C(=O)CC1Sc2nnc(-c3cccs3)n2N=C1c1ccc(Cl)cc1 |c:18| Show InChI InChI=1S/C16H11ClN4O2S2/c17-10-5-3-9(4-6-10)14-12(8-13(22)23)25-16-19-18-15(21(16)20-14)11-2-1-7-24-11/h1-7,12H,8H2,(H,22,23)/p-1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	2.50E+4	-26.0	n/a	n/a	n/a	n/a	n/a	n/a	22
University of Wisconsin-Madison					Assay Description Reactions were performed in duplicate at 22ºC in 50 mM NaH2PO4 buffer (pH 7) with 20 nM enzyme and 20 mM fresh sodium dithionite. Small molecules wer...				ACS Chem Biol 10: 2209-18 (2015) Article DOI: 10.1021/acschembio.5b00370 BindingDB Entry DOI: 10.7270/Q2FQ9VB4
					More data for this Ligand-Target Pair
UDP-galactopyranose mutase (Mycobacterium tuberculosis H37Rv)	BDBM163663 (2‐[6‐(4‐Chlorophenyl)‐3...) Show SMILES [O-]C(=O)CC1Sc2nnc(-c3cccs3)n2N=C1c1ccc(Cl)cc1 |c:18| Show InChI InChI=1S/C16H11ClN4O2S2/c17-10-5-3-9(4-6-10)14-12(8-13(22)23)25-16-19-18-15(21(16)20-14)11-2-1-7-24-11/h1-7,12H,8H2,(H,22,23)/p-1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	3.10E+4	-25.5	n/a	n/a	n/a	n/a	n/a	n/a	22
University of Wisconsin-Madison					Assay Description Reactions were performed in duplicate at 22ºC in 50 mM NaH2PO4 buffer (pH 7) with 20 nM enzyme and 20 mM fresh sodium dithionite. Small molecules wer...				ACS Chem Biol 10: 2209-18 (2015) Article DOI: 10.1021/acschembio.5b00370 BindingDB Entry DOI: 10.7270/Q2FQ9VB4
					More data for this Ligand-Target Pair
UDP-galactopyranose mutase (Corynebacterium diphtheriae)	BDBM163663 (2‐[6‐(4‐Chlorophenyl)‐3...) Show SMILES [O-]C(=O)CC1Sc2nnc(-c3cccs3)n2N=C1c1ccc(Cl)cc1 |c:18| Show InChI InChI=1S/C16H11ClN4O2S2/c17-10-5-3-9(4-6-10)14-12(8-13(22)23)25-16-19-18-15(21(16)20-14)11-2-1-7-24-11/h1-7,12H,8H2,(H,22,23)/p-1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	7.70E+4	-23.2	n/a	n/a	n/a	n/a	n/a	n/a	22
University of Wisconsin-Madison					Assay Description Reactions were performed in duplicate at 22ºC in 50 mM NaH2PO4 buffer (pH 7) with 20 nM enzyme and 20 mM fresh sodium dithionite. Small molecules wer...				ACS Chem Biol 10: 2209-18 (2015) Article DOI: 10.1021/acschembio.5b00370 BindingDB Entry DOI: 10.7270/Q2FQ9VB4
					More data for this Ligand-Target Pair
Probable UDP-galactopyranose mutase (Klebsiella pneumoniae (Enterobacteria))	BDBM163657 (2‐[3‐(Furan‐2‐yl)‐6&...) Show SMILES [O-]C(=O)CC1Sc2nnc(-c3ccco3)n2N=C1c1ccccc1 |c:18| Show InChI InChI=1S/C16H12N4O3S/c21-13(22)9-12-14(10-5-2-1-3-6-10)19-20-15(11-7-4-8-23-11)17-18-16(20)24-12/h1-8,12H,9H2,(H,21,22)/p-1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	7.80E+4	-23.2	n/a	n/a	n/a	n/a	n/a	n/a	22
University of Wisconsin-Madison					Assay Description Reactions were performed in duplicate at 22ºC in 50 mM NaH2PO4 buffer (pH 7) with 20 nM enzyme and 20 mM fresh sodium dithionite. Small molecules wer...				ACS Chem Biol 10: 2209-18 (2015) Article DOI: 10.1021/acschembio.5b00370 BindingDB Entry DOI: 10.7270/Q2FQ9VB4
					More data for this Ligand-Target Pair
Probable UDP-galactopyranose mutase (Klebsiella pneumoniae (Enterobacteria))	BDBM163662 (2‐[6‐(4‐Chlorophenyl)‐7H&#...) Show SMILES [O-]C(=O)CC1Sc2nncn2N=C1c1ccc(Cl)cc1 |c:12| Show InChI InChI=1S/C12H9ClN4O2S/c13-8-3-1-7(2-4-8)11-9(5-10(18)19)20-12-15-14-6-17(12)16-11/h1-4,6,9H,5H2,(H,18,19)/p-1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	6.40E+4	n/a	n/a	n/a	n/a	22
University of Wisconsin-Madison					Assay Description Reactions were performed in duplicate at 22ºC in 50 mM NaH2PO4 buffer (pH 7) with 20 nM enzyme and 20 mM fresh sodium dithionite. Small molecules wer...				ACS Chem Biol 10: 2209-18 (2015) Article DOI: 10.1021/acschembio.5b00370 BindingDB Entry DOI: 10.7270/Q2FQ9VB4
					More data for this Ligand-Target Pair
Probable UDP-galactopyranose mutase (Klebsiella pneumoniae (Enterobacteria))	BDBM163663 (2‐[6‐(4‐Chlorophenyl)‐3...) Show SMILES [O-]C(=O)CC1Sc2nnc(-c3cccs3)n2N=C1c1ccc(Cl)cc1 |c:18| Show InChI InChI=1S/C16H11ClN4O2S2/c17-10-5-3-9(4-6-10)14-12(8-13(22)23)25-16-19-18-15(21(16)20-14)11-2-1-7-24-11/h1-7,12H,8H2,(H,22,23)/p-1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	22
University of Wisconsin-Madison					Assay Description Reactions were performed in duplicate at 22ºC in 50 mM NaH2PO4 buffer (pH 7) with 20 nM enzyme and 20 mM fresh sodium dithionite. Small molecules wer...				ACS Chem Biol 10: 2209-18 (2015) Article DOI: 10.1021/acschembio.5b00370 BindingDB Entry DOI: 10.7270/Q2FQ9VB4
					More data for this Ligand-Target Pair
Probable UDP-galactopyranose mutase (Klebsiella pneumoniae (Enterobacteria))	BDBM163664 (2‐[3‐(2‐Methylfuran‐3̴...) Show SMILES Cc1occc1-c1nnc2SC(CC([O-])=O)C(=Nn12)c1ccccc1 |c:17| Show InChI InChI=1S/C17H14N4O3S/c1-10-12(7-8-24-10)16-18-19-17-21(16)20-15(11-5-3-2-4-6-11)13(25-17)9-14(22)23/h2-8,13H,9H2,1H3,(H,22,23)/p-1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	9.20E+4	n/a	n/a	n/a	n/a	22
University of Wisconsin-Madison					Assay Description Reactions were performed in duplicate at 22ºC in 50 mM NaH2PO4 buffer (pH 7) with 20 nM enzyme and 20 mM fresh sodium dithionite. Small molecules wer...				ACS Chem Biol 10: 2209-18 (2015) Article DOI: 10.1021/acschembio.5b00370 BindingDB Entry DOI: 10.7270/Q2FQ9VB4
					More data for this Ligand-Target Pair
Probable UDP-galactopyranose mutase (Klebsiella pneumoniae (Enterobacteria))	BDBM163665 (2‐[3‐(4‐Chlorophenoxymethyl)R...) Show SMILES Cc1ccc(cc1)C1=Nn2c(COc3ccc(Cl)cc3)nnc2SC1CC([O-])=O |t:8| Show InChI InChI=1S/C20H17ClN4O3S/c1-12-2-4-13(5-3-12)19-16(10-18(26)27)29-20-23-22-17(25(20)24-19)11-28-15-8-6-14(21)7-9-15/h2-9,16H,10-11H2,1H3,(H,26,27)/p-1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	22
University of Wisconsin-Madison					Assay Description Reactions were performed in duplicate at 22ºC in 50 mM NaH2PO4 buffer (pH 7) with 20 nM enzyme and 20 mM fresh sodium dithionite. Small molecules wer...				ACS Chem Biol 10: 2209-18 (2015) Article DOI: 10.1021/acschembio.5b00370 BindingDB Entry DOI: 10.7270/Q2FQ9VB4
					More data for this Ligand-Target Pair
Probable UDP-galactopyranose mutase (Klebsiella pneumoniae (Enterobacteria))	BDBM163666 (2‐[3‐(Furan‐2‐yl)‐6&...) Show SMILES Cc1ccc(cc1)C1=Nn2c(SC1CC([O-])=O)nnc2-c1ccco1 |t:8| Show InChI InChI=1S/C17H14N4O3S/c1-10-4-6-11(7-5-10)15-13(9-14(22)23)25-17-19-18-16(21(17)20-15)12-3-2-8-24-12/h2-8,13H,9H2,1H3,(H,22,23)/p-1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a	22
University of Wisconsin-Madison					Assay Description Reactions were performed in duplicate at 22ºC in 50 mM NaH2PO4 buffer (pH 7) with 20 nM enzyme and 20 mM fresh sodium dithionite. Small molecules wer...				ACS Chem Biol 10: 2209-18 (2015) Article DOI: 10.1021/acschembio.5b00370 BindingDB Entry DOI: 10.7270/Q2FQ9VB4
					More data for this Ligand-Target Pair
Probable UDP-galactopyranose mutase (Klebsiella pneumoniae (Enterobacteria))	BDBM163667 (2‐[6‐(4‐Chlorophenyl)‐3...) Show SMILES COc1ccccc1-c1nnc2SC(CC([O-])=O)C(=Nn12)c1ccc(Cl)cc1 |c:19| Show InChI InChI=1S/C19H15ClN4O3S/c1-27-14-5-3-2-4-13(14)18-21-22-19-24(18)23-17(15(28-19)10-16(25)26)11-6-8-12(20)9-7-11/h2-9,15H,10H2,1H3,(H,25,26)/p-1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	22
University of Wisconsin-Madison					Assay Description Reactions were performed in duplicate at 22ºC in 50 mM NaH2PO4 buffer (pH 7) with 20 nM enzyme and 20 mM fresh sodium dithionite. Small molecules wer...				ACS Chem Biol 10: 2209-18 (2015) Article DOI: 10.1021/acschembio.5b00370 BindingDB Entry DOI: 10.7270/Q2FQ9VB4
					More data for this Ligand-Target Pair
Probable UDP-galactopyranose mutase (Klebsiella pneumoniae (Enterobacteria))	BDBM163668 (2‐[6‐(4‐Chlorophenyl)‐3...) Show SMILES [O-]C(=O)CC1Sc2nnc(-c3ccc(F)cc3)n2N=C1c1ccc(Cl)cc1 |c:20| Show InChI InChI=1S/C18H12ClFN4O2S/c19-12-5-1-10(2-6-12)16-14(9-15(25)26)27-18-22-21-17(24(18)23-16)11-3-7-13(20)8-4-11/h1-8,14H,9H2,(H,25,26)/p-1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	22
University of Wisconsin-Madison					Assay Description Reactions were performed in duplicate at 22ºC in 50 mM NaH2PO4 buffer (pH 7) with 20 nM enzyme and 20 mM fresh sodium dithionite. Small molecules wer...				ACS Chem Biol 10: 2209-18 (2015) Article DOI: 10.1021/acschembio.5b00370 BindingDB Entry DOI: 10.7270/Q2FQ9VB4
					More data for this Ligand-Target Pair
Probable UDP-galactopyranose mutase (Klebsiella pneumoniae (Enterobacteria))	BDBM163669 (2‐{3‐[(4‐fluorophenyl)methyl]...) Show SMILES Cc1ccc(cc1)C1=Nn2c(Cc3ccc(F)cc3)nnc2SC1CC([O-])=O |t:8| Show InChI InChI=1S/C20H17FN4O2S/c1-12-2-6-14(7-3-12)19-16(11-18(26)27)28-20-23-22-17(25(20)24-19)10-13-4-8-15(21)9-5-13/h2-9,16H,10-11H2,1H3,(H,26,27)/p-1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	9.90E+3	n/a	n/a	n/a	n/a	22
University of Wisconsin-Madison					Assay Description Reactions were performed in duplicate at 22ºC in 50 mM NaH2PO4 buffer (pH 7) with 20 nM enzyme and 20 mM fresh sodium dithionite. Small molecules wer...				ACS Chem Biol 10: 2209-18 (2015) Article DOI: 10.1021/acschembio.5b00370 BindingDB Entry DOI: 10.7270/Q2FQ9VB4
					More data for this Ligand-Target Pair
Transthyretin (Homo sapiens (Human))	BDBM23926 ((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...) Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1 Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+	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	470	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Competitive binding affinity to human wild type TTR expressed in Escherichia coli BL-21 assessed as equilibrium dissociation constant of second site ...				J Med Chem 60: 7820-7834 (2017) Article DOI: 10.1021/acs.jmedchem.7b00952 BindingDB Entry DOI: 10.7270/Q26W9D7Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Probable UDP-galactopyranose mutase (Klebsiella pneumoniae (Enterobacteria))	BDBM163671 (2‐{3‐[(4‐Bromophenyl)methyl]R...) Show SMILES [O-]C(=O)CC1Sc2nnc(Cc3ccc(Br)cc3)n2N=C1c1ccc(Cl)cc1 |c:21| Show InChI InChI=1S/C19H14BrClN4O2S/c20-13-5-1-11(2-6-13)9-16-22-23-19-25(16)24-18(15(28-19)10-17(26)27)12-3-7-14(21)8-4-12/h1-8,15H,9-10H2,(H,26,27)/p-1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	22
University of Wisconsin-Madison					Assay Description Reactions were performed in duplicate at 22ºC in 50 mM NaH2PO4 buffer (pH 7) with 20 nM enzyme and 20 mM fresh sodium dithionite. Small molecules wer...				ACS Chem Biol 10: 2209-18 (2015) Article DOI: 10.1021/acschembio.5b00370 BindingDB Entry DOI: 10.7270/Q2FQ9VB4
					More data for this Ligand-Target Pair
Probable UDP-galactopyranose mutase (Klebsiella pneumoniae (Enterobacteria))	BDBM163672 (2‐[3‐(4‐Chlorophenoxymethyl)R...) Show SMILES [O-]C(=O)CC1Sc2nnc(COc3ccc(Cl)cc3)n2N=C1c1cccs1 |c:22| Show InChI InChI=1S/C17H13ClN4O3S2/c18-10-3-5-11(6-4-10)25-9-14-19-20-17-22(14)21-16(12-2-1-7-26-12)13(27-17)8-15(23)24/h1-7,13H,8-9H2,(H,23,24)/p-1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	22
University of Wisconsin-Madison					Assay Description Reactions were performed in duplicate at 22ºC in 50 mM NaH2PO4 buffer (pH 7) with 20 nM enzyme and 20 mM fresh sodium dithionite. Small molecules wer...				ACS Chem Biol 10: 2209-18 (2015) Article DOI: 10.1021/acschembio.5b00370 BindingDB Entry DOI: 10.7270/Q2FQ9VB4
					More data for this Ligand-Target Pair
Probable UDP-galactopyranose mutase (Klebsiella pneumoniae (Enterobacteria))	BDBM163657 (2‐[3‐(Furan‐2‐yl)‐6&...) Show SMILES [O-]C(=O)CC1Sc2nnc(-c3ccco3)n2N=C1c1ccccc1 |c:18| Show InChI InChI=1S/C16H12N4O3S/c21-13(22)9-12-14(10-5-2-1-3-6-10)19-20-15(11-7-4-8-23-11)17-18-16(20)24-12/h1-8,12H,9H2,(H,21,22)/p-1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4.30E+4	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Madison					Assay Description Polarization for the fluorescein-UDP conjugated probe in the presence of inhibitors was measured on a Tecan M1000 microplate reader, exciting with 47...				ACS Chem Biol 10: 2209-18 (2015) Article DOI: 10.1021/acschembio.5b00370 BindingDB Entry DOI: 10.7270/Q2FQ9VB4
					More data for this Ligand-Target Pair
Probable UDP-galactopyranose mutase (Klebsiella pneumoniae (Enterobacteria))	BDBM163673 (3‐{2,5‐Dimethyl‐3‐[2‐...) Show SMILES Cc1cc(c(C)n1CCC([O-])=O)-c1csc(NCC=C)n1 Show InChI InChI=1S/C15H19N3O2S/c1-4-6-16-15-17-13(9-21-15)12-8-10(2)18(11(12)3)7-5-14(19)20/h4,8-9H,1,5-7H2,2-3H3,(H,16,17)(H,19,20)/p-1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Madison					Assay Description Polarization for the fluorescein-UDP conjugated probe in the presence of inhibitors was measured on a Tecan M1000 microplate reader, exciting with 47...				ACS Chem Biol 10: 2209-18 (2015) Article DOI: 10.1021/acschembio.5b00370 BindingDB Entry DOI: 10.7270/Q2FQ9VB4
					More data for this Ligand-Target Pair
Transthyretin (Homo sapiens (Human))	BDBM50241598 (CHEMBL4063503) Show SMILES OB(O)c1ccc(\C=C\c2cc(O)cc(O)c2)cc1 Show InChI InChI=1S/C14H13BO4/c16-13-7-11(8-14(17)9-13)2-1-10-3-5-12(6-4-10)15(18)19/h1-9,16-19H/b2-1+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Competitive binding affinity to human wild type TTR expressed in Escherichia coli BL-21 assessed as equilibrium dissociation constant of second site ...				J Med Chem 60: 7820-7834 (2017) Article DOI: 10.1021/acs.jmedchem.7b00952 BindingDB Entry DOI: 10.7270/Q26W9D7Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transthyretin (Homo sapiens (Human))	BDBM50241602 (CHEMBL4099088) Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)c(Cl)c1 Show InChI InChI=1S/C14H11ClO3/c15-14-8-11(16)4-3-10(14)2-1-9-5-12(17)7-13(18)6-9/h1-8,16-18H/b2-1+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Competitive binding affinity to human wild type TTR expressed in Escherichia coli BL-21 assessed as equilibrium dissociation constant of second site ...				J Med Chem 60: 7820-7834 (2017) Article DOI: 10.1021/acs.jmedchem.7b00952 BindingDB Entry DOI: 10.7270/Q26W9D7Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transthyretin (Homo sapiens (Human))	BDBM50241603 (CHEMBL4072121) Show SMILES OB(O)c1ccc(\C=C\c2cc(O)cc(O)c2)c(Cl)c1 Show InChI InChI=1S/C14H12BClO4/c16-14-7-11(15(19)20)4-3-10(14)2-1-9-5-12(17)8-13(18)6-9/h1-8,17-20H/b2-1+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Competitive binding affinity to human wild type TTR expressed in Escherichia coli BL-21 assessed as equilibrium dissociation constant of second site ...				J Med Chem 60: 7820-7834 (2017) Article DOI: 10.1021/acs.jmedchem.7b00952 BindingDB Entry DOI: 10.7270/Q26W9D7Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transthyretin (Homo sapiens (Human))	BDBM50241604 (CHEMBL4060726) Show SMILES OC(=O)c1cccc(\C=C\c2ccc(O)cc2)c1 Show InChI InChI=1S/C15H12O3/c16-14-8-6-11(7-9-14)4-5-12-2-1-3-13(10-12)15(17)18/h1-10,16H,(H,17,18)/b5-4+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Competitive binding affinity to human wild type TTR expressed in Escherichia coli BL-21 assessed as equilibrium dissociation constant of second site ...				J Med Chem 60: 7820-7834 (2017) Article DOI: 10.1021/acs.jmedchem.7b00952 BindingDB Entry DOI: 10.7270/Q26W9D7Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transthyretin (Homo sapiens (Human))	BDBM50241605 (CHEMBL4082603) Show SMILES OB(O)c1ccc(\C=C\c2cccc(c2)C(O)=O)cc1 Show InChI InChI=1S/C15H13BO4/c17-15(18)13-3-1-2-12(10-13)5-4-11-6-8-14(9-7-11)16(19)20/h1-10,19-20H,(H,17,18)/b5-4+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	990	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Competitive binding affinity to human wild type TTR expressed in Escherichia coli BL-21 assessed as equilibrium dissociation constant of second site ...				J Med Chem 60: 7820-7834 (2017) Article DOI: 10.1021/acs.jmedchem.7b00952 BindingDB Entry DOI: 10.7270/Q26W9D7Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transthyretin (Homo sapiens (Human))	BDBM50197883 (CHEBI:78538 | FX-1006 | Tafamidis | US10377729, Co...) Show SMILES OC(=O)c1ccc2nc(oc2c1)-c1cc(Cl)cc(Cl)c1 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	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	278	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Binding affinity to wild type TTR (unknown origin) assessed as equilibrium dissociation constant of second site by isothermal titration calorimetry				J Med Chem 60: 7820-7834 (2017) Article DOI: 10.1021/acs.jmedchem.7b00952 BindingDB Entry DOI: 10.7270/Q26W9D7Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transthyretin (Homo sapiens (Human))	BDBM50241609 (CHEMBL4102478) Show SMILES Oc1ccc(\C=C\c2ccc(O)cc2Cl)c(Cl)c1 Show InChI InChI=1S/C14H10Cl2O2/c15-13-7-11(17)5-3-9(13)1-2-10-4-6-12(18)8-14(10)16/h1-8,17-18H/b2-1+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	820	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Competitive binding affinity to human wild type TTR expressed in Escherichia coli BL-21 assessed as equilibrium dissociation constant of second site ...				J Med Chem 60: 7820-7834 (2017) Article DOI: 10.1021/acs.jmedchem.7b00952 BindingDB Entry DOI: 10.7270/Q26W9D7Z
					More data for this Ligand-Target Pair
Transthyretin (Homo sapiens (Human))	BDBM50241612 (CHEMBL4078202) Show SMILES OB(O)c1ccc(\C=C\c2ccc(cc2Cl)B(O)O)c(Cl)c1 Show InChI InChI=1S/C14H12B2Cl2O4/c17-13-7-11(15(19)20)5-3-9(13)1-2-10-4-6-12(16(21)22)8-14(10)18/h1-8,19-22H/b2-1+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Competitive binding affinity to human wild type TTR expressed in Escherichia coli BL-21 assessed as equilibrium dissociation constant of second site ...				J Med Chem 60: 7820-7834 (2017) Article DOI: 10.1021/acs.jmedchem.7b00952 BindingDB Entry DOI: 10.7270/Q26W9D7Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transthyretin (Homo sapiens (Human))	BDBM50197883 (CHEBI:78538 | FX-1006 | Tafamidis | US10377729, Co...) Show SMILES OC(=O)c1ccc2nc(oc2c1)-c1cc(Cl)cc(Cl)c1 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	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Competitive binding affinity to human wild type TTR expressed in Escherichia coli BL-21 assessed as equilibrium dissociation constant of second site ...				J Med Chem 60: 7820-7834 (2017) Article DOI: 10.1021/acs.jmedchem.7b00952 BindingDB Entry DOI: 10.7270/Q26W9D7Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transthyretin (Homo sapiens (Human))	BDBM50241613 (CHEMBL4090439) Show SMILES OB(O)c1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1 Show InChI InChI=1S/C15H12BClO4/c17-14-9-13(16(20)21)7-6-11(14)5-4-10-2-1-3-12(8-10)15(18)19/h1-9,20-21H,(H,18,19)/b5-4+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Competitive binding affinity to human wild type TTR expressed in Escherichia coli BL-21 assessed as equilibrium dissociation constant of second site ...				J Med Chem 60: 7820-7834 (2017) Article DOI: 10.1021/acs.jmedchem.7b00952 BindingDB Entry DOI: 10.7270/Q26W9D7Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transthyretin (Homo sapiens (Human))	BDBM50241614 (CHEMBL4069407) Show SMILES OC(=O)c1cccc(\C=C\c2ccc(O)cc2Cl)c1 Show InChI InChI=1S/C15H11ClO3/c16-14-9-13(17)7-6-11(14)5-4-10-2-1-3-12(8-10)15(18)19/h1-9,17H,(H,18,19)/b5-4+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Competitive binding affinity to human wild type TTR expressed in Escherichia coli BL-21 assessed as equilibrium dissociation constant of second site ...				J Med Chem 60: 7820-7834 (2017) Article DOI: 10.1021/acs.jmedchem.7b00952 BindingDB Entry DOI: 10.7270/Q26W9D7Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transthyretin (Homo sapiens (Human))	BDBM50241615 (CHEMBL4065175) Show SMILES OB(O)c1cccc(\C=C\c2ccc(cc2Cl)B(O)O)c1 Show InChI InChI=1S/C14H13B2ClO4/c17-14-9-13(16(20)21)7-6-11(14)5-4-10-2-1-3-12(8-10)15(18)19/h1-9,18-21H/b5-4+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Competitive binding affinity to human wild type TTR expressed in Escherichia coli BL-21 assessed as equilibrium dissociation constant of second site ...				J Med Chem 60: 7820-7834 (2017) Article DOI: 10.1021/acs.jmedchem.7b00952 BindingDB Entry DOI: 10.7270/Q26W9D7Z
					More data for this Ligand-Target Pair
Probable UDP-galactopyranose mutase (Klebsiella pneumoniae (Enterobacteria))	BDBM163661 (2‐{3‐[(4‐Fluorophenyl)methyl]...) Show SMILES [O-]C(=O)CC1Sc2nnc(Cc3ccc(F)cc3)n2N=C1c1ccccc1 |c:21| Show InChI InChI=1S/C19H15FN4O2S/c20-14-8-6-12(7-9-14)10-16-21-22-19-24(16)23-18(13-4-2-1-3-5-13)15(27-19)11-17(25)26/h1-9,15H,10-11H2,(H,25,26)/p-1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	22
University of Wisconsin-Madison					Assay Description Reactions were performed in duplicate at 22ºC in 50 mM NaH2PO4 buffer (pH 7) with 20 nM enzyme and 20 mM fresh sodium dithionite. Small molecules wer...				ACS Chem Biol 10: 2209-18 (2015) Article DOI: 10.1021/acschembio.5b00370 BindingDB Entry DOI: 10.7270/Q2FQ9VB4
					More data for this Ligand-Target Pair
Probable UDP-galactopyranose mutase (Klebsiella pneumoniae (Enterobacteria))	BDBM163660 (2‐[3‐(4‐Fluorophenyl)‐6...) Show SMILES [O-]C(=O)CC1Sc2nnc(-c3ccc(F)cc3)n2N=C1c1ccccc1 |c:20| Show InChI InChI=1S/C18H13FN4O2S/c19-13-8-6-12(7-9-13)17-20-21-18-23(17)22-16(11-4-2-1-3-5-11)14(26-18)10-15(24)25/h1-9,14H,10H2,(H,24,25)/p-1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	5.90E+4	n/a	n/a	n/a	n/a	22
University of Wisconsin-Madison					Assay Description Reactions were performed in duplicate at 22ºC in 50 mM NaH2PO4 buffer (pH 7) with 20 nM enzyme and 20 mM fresh sodium dithionite. Small molecules wer...				ACS Chem Biol 10: 2209-18 (2015) Article DOI: 10.1021/acschembio.5b00370 BindingDB Entry DOI: 10.7270/Q2FQ9VB4
					More data for this Ligand-Target Pair
Probable UDP-galactopyranose mutase (Klebsiella pneumoniae (Enterobacteria))	BDBM163659 (2‐{3‐Cyclopropyl‐6‐phenyl&...) Show SMILES [O-]C(=O)CC1Sc2nnc(C3CC3)n2N=C1c1ccccc1 |c:16| Show InChI InChI=1S/C15H14N4O2S/c20-12(21)8-11-13(9-4-2-1-3-5-9)18-19-14(10-6-7-10)16-17-15(19)22-11/h1-5,10-11H,6-8H2,(H,20,21)/p-1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	7.50E+4	n/a	n/a	n/a	n/a	22
University of Wisconsin-Madison					Assay Description Reactions were performed in duplicate at 22ºC in 50 mM NaH2PO4 buffer (pH 7) with 20 nM enzyme and 20 mM fresh sodium dithionite. Small molecules wer...				ACS Chem Biol 10: 2209-18 (2015) Article DOI: 10.1021/acschembio.5b00370 BindingDB Entry DOI: 10.7270/Q2FQ9VB4
					More data for this Ligand-Target Pair
Probable UDP-galactopyranose mutase (Klebsiella pneumoniae (Enterobacteria))	BDBM163658 (2‐[6‐(4‐Fluorophenyl)‐3...) Show SMILES [O-]C(=O)CC1Sc2nnc(-c3ccco3)n2N=C1c1ccc(F)cc1 |c:18| Show InChI InChI=1S/C16H11FN4O3S/c17-10-5-3-9(4-6-10)14-12(8-13(22)23)25-16-19-18-15(21(16)20-14)11-2-1-7-24-11/h1-7,12H,8H2,(H,22,23)/p-1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	22
University of Wisconsin-Madison					Assay Description Reactions were performed in duplicate at 22ºC in 50 mM NaH2PO4 buffer (pH 7) with 20 nM enzyme and 20 mM fresh sodium dithionite. Small molecules wer...				ACS Chem Biol 10: 2209-18 (2015) Article DOI: 10.1021/acschembio.5b00370 BindingDB Entry DOI: 10.7270/Q2FQ9VB4
					More data for this Ligand-Target Pair
Probable UDP-galactopyranose mutase (Klebsiella pneumoniae (Enterobacteria))	BDBM163657 (2‐[3‐(Furan‐2‐yl)‐6&...) Show SMILES [O-]C(=O)CC1Sc2nnc(-c3ccco3)n2N=C1c1ccccc1 |c:18| Show InChI InChI=1S/C16H12N4O3S/c21-13(22)9-12-14(10-5-2-1-3-6-10)19-20-15(11-7-4-8-23-11)17-18-16(20)24-12/h1-8,12H,9H2,(H,21,22)/p-1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4.10E+4	n/a	n/a	n/a	n/a	22
University of Wisconsin-Madison					Assay Description Reactions were performed in duplicate at 22ºC in 50 mM NaH2PO4 buffer (pH 7) with 20 nM enzyme and 20 mM fresh sodium dithionite. Small molecules wer...				ACS Chem Biol 10: 2209-18 (2015) Article DOI: 10.1021/acschembio.5b00370 BindingDB Entry DOI: 10.7270/Q2FQ9VB4
					More data for this Ligand-Target Pair
Probable UDP-galactopyranose mutase (Klebsiella pneumoniae (Enterobacteria))	BDBM163670 (2‐{3‐[(4‐Fluorophenyl)methyl]...) Show SMILES [O-]C(=O)CC1Sc2nnc(Cc3ccc(F)cc3)n2N=C1c1cccs1 |c:21| Show InChI InChI=1S/C17H13FN4O2S2/c18-11-5-3-10(4-6-11)8-14-19-20-17-22(14)21-16(12-2-1-7-25-12)13(26-17)9-15(23)24/h1-7,13H,8-9H2,(H,23,24)/p-1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	5.90E+4	n/a	n/a	n/a	n/a	22
University of Wisconsin-Madison					Assay Description Reactions were performed in duplicate at 22ºC in 50 mM NaH2PO4 buffer (pH 7) with 20 nM enzyme and 20 mM fresh sodium dithionite. Small molecules wer...				ACS Chem Biol 10: 2209-18 (2015) Article DOI: 10.1021/acschembio.5b00370 BindingDB Entry DOI: 10.7270/Q2FQ9VB4
					More data for this Ligand-Target Pair