Compile Data Set for Download or QSAR

Found 17 hits of affinity data for UniProtKB/TrEMBL: Q5RJP0   

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 B7 (Rattus norvegicus)	BDBM16452 ((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...) Show SMILES OC(=O)Cc1nn(Cc2nc3cc(ccc3s2)C(F)(F)F)c(=O)c2ccccc12 Show InChI InChI=1S/C19H12F3N3O3S/c20-19(21,22)10-5-6-15-14(7-10)23-16(29-15)9-25-18(28)12-4-2-1-3-11(12)13(24-25)8-17(26)27/h1-7H,8-9H2,(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Wistar rat kidney aldehyde reductase using D-glucuronate as substrate by spectrophotometry				J Med Chem 58: 2649-57 (2015) Article DOI: 10.1021/jm5015814 BindingDB Entry DOI: 10.7270/Q2WS8VZJ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B7 (Rattus norvegicus)	BDBM50547657 (CHEMBL4755765) Show SMILES CC(C)(C)c1ccc(\C=C\c2cccc3N(CC(O)=O)CC(=O)Oc23)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	669	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rat kidney ALR1 using sodium D-glucuronate as substrate preincubated for 4 mins at 37 degC followed by substrate addition and measured ...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115699 BindingDB Entry DOI: 10.7270/Q2222ZC6
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B7 (Rattus norvegicus)	BDBM50049730 (2-(5-(2-methyl-3-phenylallylidene)-4-oxo-2-thioxot...) Show SMILES C\C(\C=C1/SC(=S)N(CC(O)=O)C1=O)=C/c1ccccc1 Show InChI InChI=1S/C15H13NO3S2/c1-10(7-11-5-3-2-4-6-11)8-12-14(19)16(9-13(17)18)15(20)21-12/h2-8H,9H2,1H3,(H,17,18)/b10-7+,12-8-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rat kidney ALR1 using sodium D-glucuronate as substrate preincubated for 4 mins at 37 degC followed by substrate addition and measured ...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115699 BindingDB Entry DOI: 10.7270/Q2222ZC6
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B7 (Rattus norvegicus)	BDBM50547660 (CHEMBL4796974) Show SMILES OC(=O)CN1CC(=O)Oc2c(\C=C\c3ccccc3)cccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.81E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rat kidney ALR1 using sodium D-glucuronate as substrate preincubated for 4 mins at 37 degC followed by substrate addition and measured ...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115699 BindingDB Entry DOI: 10.7270/Q2222ZC6
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B7 (Rattus norvegicus)	BDBM50547658 (CHEMBL4744605) Show SMILES OC(=O)CN1CC(=O)Oc2c(\C=C\c3ccc(cc3)C(F)(F)F)cccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rat kidney ALR1 using sodium D-glucuronate as substrate preincubated for 4 mins at 37 degC followed by substrate addition and measured ...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115699 BindingDB Entry DOI: 10.7270/Q2222ZC6
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B7 (Rattus norvegicus)	BDBM50547659 (CHEMBL4762576) Show SMILES OC(=O)CN1CC(=O)Oc2c(\C=C\c3ccc(F)cc3)cccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rat kidney ALR1 using sodium D-glucuronate as substrate preincubated for 4 mins at 37 degC followed by substrate addition and measured ...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115699 BindingDB Entry DOI: 10.7270/Q2222ZC6
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B7 (Rattus norvegicus)	BDBM50547656 (CHEMBL4759527) Show SMILES COc1cc(\C=C\c2cccc3N(CC(O)=O)CC(=O)Oc23)ccc1O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rat kidney ALR1 using sodium D-glucuronate as substrate preincubated for 4 mins at 37 degC followed by substrate addition and measured ...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115699 BindingDB Entry DOI: 10.7270/Q2222ZC6
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B7 (Rattus norvegicus)	BDBM50080472 (CHEMBL3422326) Show SMILES OC(=O)Cn1c2CCCc2c2ccccc12 Show InChI InChI=1S/C13H13NO2/c15-13(16)8-14-11-6-2-1-4-9(11)10-5-3-7-12(10)14/h1-2,4,6H,3,5,7-8H2,(H,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Wistar rat kidney aldehyde reductase using D-glucuronate as substrate by spectrophotometry				J Med Chem 58: 2649-57 (2015) Article DOI: 10.1021/jm5015814 BindingDB Entry DOI: 10.7270/Q2WS8VZJ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B7 (Rattus norvegicus)	BDBM50547655 (CHEMBL4764862) Show SMILES OC(=O)CN1CC(=O)Oc2c(\C=C\c3ccc(O)cc3)cccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.99E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rat kidney ALR1 using sodium D-glucuronate as substrate preincubated for 4 mins at 37 degC followed by substrate addition and measured ...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115699 BindingDB Entry DOI: 10.7270/Q2222ZC6
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B7 (Rattus norvegicus)	BDBM50547661 (CHEMBL4758428) Show SMILES OC(=O)CN1CC(=O)Oc2ccccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.37E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rat kidney ALR1 using sodium D-glucuronate as substrate preincubated for 4 mins at 37 degC followed by substrate addition and measured ...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115699 BindingDB Entry DOI: 10.7270/Q2222ZC6
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B7 (Rattus norvegicus)	BDBM50080465 (CHEMBL3422329) Show SMILES CC(C)Sc1nnc2c3ccccc3n(CC(O)=O)c2n1 Show InChI InChI=1S/C14H14N4O2S/c1-8(2)21-14-15-13-12(16-17-14)9-5-3-4-6-10(9)18(13)7-11(19)20/h3-6,8H,7H2,1-2H3,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Wistar rat kidney aldehyde reductase using D-glucuronate as substrate by spectrophotometry				J Med Chem 58: 2649-57 (2015) Article DOI: 10.1021/jm5015814 BindingDB Entry DOI: 10.7270/Q2WS8VZJ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B7 (Rattus norvegicus)	BDBM50080469 (CHEMBL3422332) Show SMILES CCCNC(=O)CSc1nnc2c3cc(C)ccc3n(CC(O)=O)c2n1 Show InChI InChI=1S/C17H19N5O3S/c1-3-6-18-13(23)9-26-17-19-16-15(20-21-17)11-7-10(2)4-5-12(11)22(16)8-14(24)25/h4-5,7H,3,6,8-9H2,1-2H3,(H,18,23)(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Wistar rat kidney aldehyde reductase using D-glucuronate as substrate by spectrophotometry				J Med Chem 58: 2649-57 (2015) Article DOI: 10.1021/jm5015814 BindingDB Entry DOI: 10.7270/Q2WS8VZJ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B7 (Rattus norvegicus)	BDBM50080471 (CHEMBL1984484) Show SMILES OC(=O)Cn1c2ccccc2c2nc3ccccc3nc12 Show InChI InChI=1S/C16H11N3O2/c20-14(21)9-19-13-8-4-1-5-10(13)15-16(19)18-12-7-3-2-6-11(12)17-15/h1-8H,9H2,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.48E+4	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Wistar rat kidney aldehyde reductase using D-glucuronate as substrate by spectrophotometry				J Med Chem 58: 2649-57 (2015) Article DOI: 10.1021/jm5015814 BindingDB Entry DOI: 10.7270/Q2WS8VZJ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B7 (Rattus norvegicus)	BDBM50080464 (ALR2 inhibitor, 12 | CHEMBL1405739) Show SMILES OC(=O)Cn1c2ccccc2c2nnc(S)nc12 Show InChI InChI=1S/C11H8N4O2S/c16-8(17)5-15-7-4-2-1-3-6(7)9-10(15)12-11(18)14-13-9/h1-4H,5H2,(H,16,17)(H,12,14,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Wistar rat kidney aldehyde reductase using D-glucuronate as substrate by spectrophotometry				J Med Chem 58: 2649-57 (2015) Article DOI: 10.1021/jm5015814 BindingDB Entry DOI: 10.7270/Q2WS8VZJ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B7 (Rattus norvegicus)	BDBM50003616 (2-n-propyl-n-valeric acid | CHEMBL109 | DPA | Di-n...) Show SMILES CCCC(CCC)C(O)=O Show InChI InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.61E+4	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Wistar rat kidney aldehyde reductase using D-glucuronate as substrate by spectrophotometry				J Med Chem 58: 2649-57 (2015) Article DOI: 10.1021/jm5015814 BindingDB Entry DOI: 10.7270/Q2WS8VZJ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B7 (Rattus norvegicus)	BDBM50080537 (CHEMBL1337856) Show SMILES CC(C)(C)C(=O)c1cn(CC(O)=O)c2ccccc12 Show InChI InChI=1S/C15H17NO3/c1-15(2,3)14(19)11-8-16(9-13(17)18)12-7-5-4-6-10(11)12/h4-8H,9H2,1-3H3,(H,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.84E+4	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Wistar rat kidney aldehyde reductase using D-glucuronate as substrate by spectrophotometry				J Med Chem 58: 2649-57 (2015) Article DOI: 10.1021/jm5015814 BindingDB Entry DOI: 10.7270/Q2WS8VZJ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B7 (Rattus norvegicus)	BDBM50080538 (CHEBI:72814 | CHEMBL1333950) Show SMILES OC(=O)Cn1ccc2ccccc12 Show InChI InChI=1S/C10H9NO2/c12-10(13)7-11-6-5-8-3-1-2-4-9(8)11/h1-6H,7H2,(H,12,13)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	8.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Wistar rat kidney aldehyde reductase using D-glucuronate as substrate by spectrophotometry				J Med Chem 58: 2649-57 (2015) Article DOI: 10.1021/jm5015814 BindingDB Entry DOI: 10.7270/Q2WS8VZJ
					More data for this Ligand-Target Pair