Compile Data Set for Download or QSAR

Found 7 hits with Last Name = 'cotrina' and Initial = 'ey'   

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))	BDBM50070942 ((-)-Epigallocatechin gallate | (-)-Epigallocatechi...) Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r| Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a
CIC bioGUNE , Bizkaia Technology Park, Building 801A, 48170 Derio, Spain. Curated by ChEMBL					Assay Description Binding affinity to recombinant human transthyretin expressed in Escherichia coli BL21 by STD-NMR spectroscopic method				J Med Chem 60: 5749-5758 (2017) Article DOI: 10.1021/acs.jmedchem.7b00428 BindingDB Entry DOI: 10.7270/Q29W0HW7
					More data for this Ligand-Target Pair
Transthyretin (Homo sapiens (Human))	BDBM50249584 (CHEMBL4074607) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C89H135N25O25/c1-45(2)32-58(106-75(124)54(24-16-18-30-90)103-76(125)55(26-28-66(92)116)104-80(129)61(35-52-39-95-43-98-52)108-81(130)62(36-53-40-96-44-99-53)111-86(135)71(94)46(3)4)83(132)114-73(48(7)8)88(137)112-60(34-51-22-14-11-15-23-51)79(128)107-59(33-50-20-12-10-13-21-50)78(127)100-49(9)74(123)102-56(27-29-69(119)120)77(126)110-64(38-70(121)122)84(133)113-72(47(5)6)87(136)97-41-68(118)101-65(42-115)85(134)109-63(37-67(93)117)82(131)105-57(89(138)139)25-17-19-31-91/h10-15,20-23,39-40,43-49,54-65,71-73,115H,16-19,24-38,41-42,90-91,94H2,1-9H3,(H2,92,116)(H2,93,117)(H,95,98)(H,96,99)(H,97,136)(H,100,127)(H,101,118)(H,102,123)(H,103,125)(H,104,129)(H,105,131)(H,106,124)(H,107,128)(H,108,130)(H,109,134)(H,110,126)(H,111,135)(H,112,137)(H,113,133)(H,114,132)(H,119,120)(H,121,122)(H,138,139)/t49-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,71-,72-,73-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a
CIC bioGUNE , Bizkaia Technology Park, Building 801A, 48170 Derio, Spain. Curated by ChEMBL					Assay Description Binding affinity to recombinant human transthyretin expressed in Escherichia coli BL21 by STD-NMR spectroscopic method				J Med Chem 60: 5749-5758 (2017) Article DOI: 10.1021/acs.jmedchem.7b00428 BindingDB Entry DOI: 10.7270/Q29W0HW7
					More data for this Ligand-Target Pair
Transthyretin (Homo sapiens (Human))	BDBM50527390 (CHEMBL1232738) Show SMILES OC(=O)c1cc(cc(I)c1O)-c1ccc(F)cc1F Show InChI InChI=1S/C13H7F2IO3/c14-7-1-2-8(10(15)5-7)6-3-9(13(18)19)12(17)11(16)4-6/h1-5,17H,(H,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a
Institut de Qu??mica Avan£ada de Catalunya (I.Q.A.C.-C.S.I.C.) Curated by ChEMBL					Assay Description Stabilization of wild type human transthyretin expressed in Escherichia coli BL21(DE3) Star assessed as dissociation constant for TTR-amyloid beta (1...				J Med Chem 63: 3205-3214 (2020) Article DOI: 10.1021/acs.jmedchem.9b01970 BindingDB Entry DOI: 10.7270/Q2RJ4NW0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transthyretin (Homo sapiens (Human))	BDBM50240510 (CHEMBL898 | DIFLUNISAL) Show SMILES OC(=O)c1cc(ccc1O)-c1ccc(F)cc1F 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	2.70E+3	n/a	n/a	n/a	n/a	n/a
Institut de Qu??mica Avan£ada de Catalunya (I.Q.A.C.-C.S.I.C.) Curated by ChEMBL					Assay Description Stabilization of wild type human transthyretin expressed in Escherichia coli BL21(DE3) Star assessed as dissociation constant for TTR-amyloid beta (1...				J Med Chem 63: 3205-3214 (2020) Article DOI: 10.1021/acs.jmedchem.9b01970 BindingDB Entry DOI: 10.7270/Q2RJ4NW0
					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	2.80E+3	n/a	n/a	n/a	n/a	n/a
Institut de Qu??mica Avan£ada de Catalunya (I.Q.A.C.-C.S.I.C.) Curated by ChEMBL					Assay Description Stabilization of wild type human transthyretin expressed in Escherichia coli BL21(DE3) Star assessed as dissociation constant for TTR-amyloid beta (1...				J Med Chem 63: 3205-3214 (2020) Article DOI: 10.1021/acs.jmedchem.9b01970 BindingDB Entry DOI: 10.7270/Q2RJ4NW0
					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	1.05E+3	n/a	n/a	n/a	n/a	n/a
Institut de Qu??mica Avan£ada de Catalunya (I.Q.A.C.-C.S.I.C.) Curated by ChEMBL					Assay Description Stabilization of wild type human transthyretin expressed in Escherichia coli BL21(DE3) Star assessed as dissociation constant for TTR-amyloid beta (1...				J Med Chem 63: 3205-3214 (2020) Article DOI: 10.1021/acs.jmedchem.9b01970 BindingDB Entry DOI: 10.7270/Q2RJ4NW0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transthyretin (Homo sapiens (Human))	BDBM50527390 (CHEMBL1232738) Show SMILES OC(=O)c1cc(cc(I)c1O)-c1ccc(F)cc1F Show InChI InChI=1S/C13H7F2IO3/c14-7-1-2-8(10(15)5-7)6-3-9(13(18)19)12(17)11(16)4-6/h1-5,17H,(H,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a
Institut de Qu??mica Avan£ada de Catalunya (I.Q.A.C.-C.S.I.C.) Curated by ChEMBL					Assay Description Stabilization of wild type human transthyretin expressed in Escherichia coli BL21(DE3) Star assessed as dissociation constant for TTR-amyloid beta (1...				J Med Chem 63: 3205-3214 (2020) Article DOI: 10.1021/acs.jmedchem.9b01970 BindingDB Entry DOI: 10.7270/Q2RJ4NW0
					More data for this Ligand-Target Pair				3D Structure (crystal)