Compile Data Set for Download or QSAR

Found 10 hits with Last Name = 'de la fuente' and Initial = 'ja'   

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
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16314 (2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...) Show SMILES COc1ccc2c(cccc2c1C(F)(F)F)C(=S)N(C)CC(O)=O Show InChI InChI=1S/C16H14F3NO3S/c1-20(8-13(21)22)15(24)11-5-3-4-10-9(11)6-7-12(23-2)14(10)16(17,18)19/h3-7H,8H2,1-2H3,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Biomar, S.A. Curated by ChEMBL					Assay Description In vitro inhibitory activity against recombinant human aldose reductase (ALR2) was determined				J Med Chem 46: 5208-21 (2003) Article DOI: 10.1021/jm030957n BindingDB Entry DOI: 10.7270/Q20Z72PQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50135849 (2,3,4-trichloro-6-(3,4,5-trichloro-2-hydroxyphenox...) Show SMILES Oc1c(Oc2cc(Cl)c(Cl)c(Cl)c2O)cc(Cl)c(Cl)c1Cl Show InChI InChI=1S/C12H4Cl6O3/c13-3-1-5(11(19)9(17)7(3)15)21-6-2-4(14)8(16)10(18)12(6)20/h1-2,19-20H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Biomar, S.A. Curated by ChEMBL					Assay Description In vitro inhibitory activity against recombinant human aldose reductase (ALR2) was determined				J Med Chem 46: 5208-21 (2003) Article DOI: 10.1021/jm030957n BindingDB Entry DOI: 10.7270/Q20Z72PQ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50135852 (2,3,4-tribromo-6-(3,4-dibromo-5-fluoro-2-hydroxyph...) Show SMILES Oc1c(Br)c(Br)c(F)cc1Oc1cc(Br)c(Br)c(Br)c1O Show InChI InChI=1S/C12H4Br5FO3/c13-3-1-5(11(19)9(16)7(3)14)21-6-2-4(18)8(15)10(17)12(6)20/h1-2,19-20H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Biomar, S.A. Curated by ChEMBL					Assay Description In vitro inhibitory activity against recombinant human aldose reductase (ALR2) was determined				J Med Chem 46: 5208-21 (2003) Article DOI: 10.1021/jm030957n BindingDB Entry DOI: 10.7270/Q20Z72PQ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16312 ((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...) Show SMILES Fc1ccc2OCC[C@]3(NC(=O)NC3=O)c2c1 |r| Show InChI InChI=1S/C11H9FN2O3/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)/t11-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Biomar, S.A. Curated by ChEMBL					Assay Description In vitro inhibitory activity against recombinant human aldose reductase (ALR2) was determined				J Med Chem 46: 5208-21 (2003) Article DOI: 10.1021/jm030957n BindingDB Entry DOI: 10.7270/Q20Z72PQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50135854 (2,4-Dibromo-6-(3,4,5-tribromo-2-hydroxy-phenoxy)-b...) Show SMILES Oc1c(Br)cc(Oc2cc(Br)c(Br)c(Br)c2O)c(O)c1Br Show InChI InChI=1S/C12H5Br5O4/c13-3-1-5(11(19)8(16)7(3)15)21-6-2-4(14)10(18)9(17)12(6)20/h1-2,18-20H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Biomar, S.A. Curated by ChEMBL					Assay Description In vitro inhibitory activity against recombinant human aldose reductase (ALR2) was determined				J Med Chem 46: 5208-21 (2003) Article DOI: 10.1021/jm030957n BindingDB Entry DOI: 10.7270/Q20Z72PQ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50135850 (2,3,4,5-Tetrabromo-6-(3,4,5-tribromo-2-hydroxy-phe...) Show SMILES Oc1c(Oc2c(O)c(Br)c(Br)c(Br)c2Br)cc(Br)c(Br)c1Br Show InChI InChI=1S/C12H3Br7O3/c13-2-1-3(10(20)7(17)4(2)14)22-12-9(19)6(16)5(15)8(18)11(12)21/h1,20-21H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Biomar, S.A. Curated by ChEMBL					Assay Description In vitro inhibitory activity against recombinant human aldose reductase (ALR2) was determined				J Med Chem 46: 5208-21 (2003) Article DOI: 10.1021/jm030957n BindingDB Entry DOI: 10.7270/Q20Z72PQ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50135853 (2,3,4-tribromo-6-(3,4,5-tribromo-2-hydroxyphenoxy)...) Show SMILES Oc1c(Oc2cc(Br)c(Br)c(Br)c2O)cc(Br)c(Br)c1Br Show InChI InChI=1S/C12H4Br6O3/c13-3-1-5(11(19)9(17)7(3)15)21-6-2-4(14)8(16)10(18)12(6)20/h1-2,19-20H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Biomar, S.A. Curated by ChEMBL					Assay Description In vitro inhibitory activity against recombinant human aldose reductase (ALR2) was determined				J Med Chem 46: 5208-21 (2003) Article DOI: 10.1021/jm030957n BindingDB Entry DOI: 10.7270/Q20Z72PQ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50135851 (2,3,4,5-tetrabromo-6-(3,5-dibromo-2-hydroxy-phenox...) Show SMILES Oc1c(Br)cc(Br)cc1Oc1c(O)c(Br)c(Br)c(Br)c1Br Show InChI InChI=1S/C12H4Br6O3/c13-3-1-4(14)10(19)5(2-3)21-12-9(18)7(16)6(15)8(17)11(12)20/h1-2,19-20H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Biomar, S.A. Curated by ChEMBL					Assay Description In vitro inhibitory activity against recombinant human aldose reductase (ALR2) was determined				J Med Chem 46: 5208-21 (2003) Article DOI: 10.1021/jm030957n BindingDB Entry DOI: 10.7270/Q20Z72PQ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50135856 (6-(2-Amino-3,4,5-tribromo-phenoxy)-2,3,4-tribromo-...) Show SMILES Nc1c(Br)c(Br)c(Br)cc1Oc1cc(Br)c(Br)c(Br)c1O Show InChI InChI=1S/C12H5Br6NO2/c13-3-1-5(11(19)9(17)7(3)15)21-6-2-4(14)8(16)10(18)12(6)20/h1-2,20H,19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Biomar, S.A. Curated by ChEMBL					Assay Description In vitro inhibitory activity against recombinant human aldose reductase (ALR2) was determined				J Med Chem 46: 5208-21 (2003) Article DOI: 10.1021/jm030957n BindingDB Entry DOI: 10.7270/Q20Z72PQ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50135855 (CHEMBL358713 | [2,3,4,5-Tetrabromo-6-(3,5-dibromo-...) Show SMILES OC(=O)COc1c(Br)cc(Br)cc1Oc1c(Br)c(Br)c(Br)c(Br)c1CC(O)=O Show InChI InChI=1S/C16H8Br6O6/c17-5-1-7(18)16(27-4-10(25)26)8(2-5)28-15-6(3-9(23)24)11(19)12(20)13(21)14(15)22/h1-2H,3-4H2,(H,23,24)(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Biomar, S.A. Curated by ChEMBL					Assay Description In vitro inhibitory activity against recombinant human aldose reductase (ALR2) was determined				J Med Chem 46: 5208-21 (2003) Article DOI: 10.1021/jm030957n BindingDB Entry DOI: 10.7270/Q20Z72PQ
					More data for this Ligand-Target Pair