Compile Data Set for Download or QSAR

Found 7 hits of ic50 for UniProtKB: P16116   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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 (Bos taurus)	BDBM193852 ((E)-3-(2-(2-(1-(4-bromophenyl)ethylidene)hydraziny...) Show SMILES C\C(=N/Nc1nc(cs1)-c1cc2ccccc2oc1=O)c1ccc(Br)cc1 Show InChI InChI=1S/C20H14BrN3O2S/c1-12(13-6-8-15(21)9-7-13)23-24-20-22-17(11-27-20)16-10-14-4-2-3-5-18(14)26-19(16)25/h2-11H,1H3,(H,22,24)/b23-12+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Abbottabad University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of calf lens ALR2 using D,L-glyceraldehyde as substrate preincubated for 5 mins followed by NADPH addition measured after 10 mins by UV sp...				Bioorg Med Chem 26: 3731-3762 (2018) Article DOI: 10.1016/j.bmc.2018.05.042 BindingDB Entry DOI: 10.7270/Q29889HN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Bos taurus)	BDBM193866 (3-(4-((2-Chlorophenylamino)methyl)-5-thioxo-4,5-di...) Show SMILES Clc1ccccc1NCn1nc(oc1=S)-c1cc2ccccc2oc1=O Show InChI InChI=1S/C18H12ClN3O3S/c19-13-6-2-3-7-14(13)20-10-22-18(26)25-16(21-22)12-9-11-5-1-4-8-15(11)24-17(12)23/h1-9,20H,10H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Abbottabad University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of calf lens ALR2 using D,L-glyceraldehyde as substrate preincubated for 5 mins followed by NADPH addition measured after 10 mins by UV sp...				Bioorg Med Chem 26: 3731-3762 (2018) Article DOI: 10.1016/j.bmc.2018.05.042 BindingDB Entry DOI: 10.7270/Q29889HN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Bos taurus)	BDBM193869 (3-(4-(Morpholinomethyl)-5-thioxo-4,5-dihydro-1,3,4...) Show SMILES O=c1oc2ccccc2cc1-c1nn(CN2CCOCC2)c(=S)o1 Show InChI InChI=1S/C16H15N3O4S/c20-15-12(9-11-3-1-2-4-13(11)22-15)14-17-19(16(24)23-14)10-18-5-7-21-8-6-18/h1-4,9H,5-8,10H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Abbottabad University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of calf lens ALR2 using D,L-glyceraldehyde as substrate preincubated for 5 mins followed by NADPH addition measured after 10 mins by UV sp...				Bioorg Med Chem 26: 3731-3762 (2018) Article DOI: 10.1016/j.bmc.2018.05.042 BindingDB Entry DOI: 10.7270/Q29889HN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Bos taurus)	BDBM193860 ((E)-3-(2-(2-((2-amino-4-chlorophenyl)(phenyl)methy...) Show SMILES C\C(=N/Nc1nc(cs1)-c1cc2ccccc2oc1=O)c1ccc(Cl)cc1N Show InChI InChI=1S/C25H17ClN4O2S/c26-17-10-11-18(20(27)13-17)23(15-6-2-1-3-7-15)29-30-25-28-21(14-33-25)19-12-16-8-4-5-9-22(16)32-24(19)31/h1-14H,27H2,(H,28,30)/b29-23+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	459	n/a	n/a	n/a	n/a	n/a	n/a
Abbottabad University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of bovine kidney ALR1 using D-glucoronic acid as substrate preincubated for 5 mins followed by NADPH addition measured after 10 mins by UV...				Bioorg Med Chem 26: 3731-3762 (2018) Article DOI: 10.1016/j.bmc.2018.05.042 BindingDB Entry DOI: 10.7270/Q29889HN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Bos taurus)	BDBM193864 (3-(4-((Butylamino)methyl)-5-thioxo-4,5-dihydro-1,3...) Show SMILES CCCCNCn1nc(oc1=S)-c1cc2ccccc2oc1=O Show InChI InChI=1S/C16H17N3O3S/c1-2-3-8-17-10-19-16(23)22-14(18-19)12-9-11-6-4-5-7-13(11)21-15(12)20/h4-7,9,17H,2-3,8,10H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbottabad University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of bovine kidney ALR1 using D-glucoronic acid as substrate preincubated for 5 mins followed by NADPH addition measured after 10 mins by UV...				Bioorg Med Chem 26: 3731-3762 (2018) Article DOI: 10.1016/j.bmc.2018.05.042 BindingDB Entry DOI: 10.7270/Q29889HN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Bos taurus)	BDBM50251360 (CHEMBL4077795) Show SMILES COc1ccc(cc1)C(=O)N(CC(O)=O)OCc1ccccc1 Show InChI InChI=1S/C17H17NO5/c1-22-15-9-7-14(8-10-15)17(21)18(11-16(19)20)23-12-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Farmacia, Università di Pisa, Via Bonanno 6, 56126 Pisa, Italy. Electronic address: susanna.nencetti@farm.unipi.it. Curated by ChEMBL					Assay Description Inhibition of bovine lens ALR2 using D,L-glyceraldehyde as substrate measured for 4 mins by spectrophotometric method				Bioorg Med Chem 25: 3068-3076 (2017) Article DOI: 10.1016/j.bmc.2017.03.056 BindingDB Entry DOI: 10.7270/Q29K4DN8
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Bos taurus)	BDBM50251361 (CHEMBL4102055) Show SMILES COc1ccc(cc1)C(=O)N(CC(O)=O)OCc1ccc(Cl)cc1 Show InChI InChI=1S/C17H16ClNO5/c1-23-15-8-4-13(5-9-15)17(22)19(10-16(20)21)24-11-12-2-6-14(18)7-3-12/h2-9H,10-11H2,1H3,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Farmacia, Università di Pisa, Via Bonanno 6, 56126 Pisa, Italy. Electronic address: susanna.nencetti@farm.unipi.it. Curated by ChEMBL					Assay Description Inhibition of bovine lens ALR2 using D,L-glyceraldehyde as substrate measured for 4 mins by spectrophotometric method				Bioorg Med Chem 25: 3068-3076 (2017) Article DOI: 10.1016/j.bmc.2017.03.056 BindingDB Entry DOI: 10.7270/Q29K4DN8
					More data for this Ligand-Target Pair