Compile Data Set for Download or QSAR

Found 25 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50013174   

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 (Rattus norvegicus)	BDBM50563402 (CHEMBL4782479) Show SMILES COc1cc(\C=C\c2cccc3n(CC(O)=O)c(=O)oc23)ccc1O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Wistar rat lens ALR2 assessed as reduction in NADPH oxidation using D,L-glyceraldehyde and NADPH as substrate preincubated for 10 mins ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113269 BindingDB Entry DOI: 10.7270/Q2CV4NFV
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50563408 (CHEMBL4743085) Show SMILES OC(=O)Cn1c2cccc(-c3ccc(cc3)C(F)(F)F)c2oc1=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Wistar rat lens ALR2 assessed as reduction in NADPH oxidation using D,L-glyceraldehyde and NADPH as substrate preincubated for 10 mins ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113269 BindingDB Entry DOI: 10.7270/Q2CV4NFV
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50563399 (CHEMBL4749891) Show SMILES COc1ccc(\C=C\c2cccc3n(CC(O)=O)c(=O)oc23)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Wistar rat lens ALR2 assessed as reduction in NADPH oxidation using D,L-glyceraldehyde and NADPH as substrate preincubated for 10 mins ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113269 BindingDB Entry DOI: 10.7270/Q2CV4NFV
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50563412 (CHEMBL4746398) Show SMILES CC(C)(C)c1ccc(cc1)-c1cccc2n(CC(O)=O)c(=O)oc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Wistar rat lens ALR2 assessed as reduction in NADPH oxidation using D,L-glyceraldehyde and NADPH as substrate preincubated for 10 mins ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113269 BindingDB Entry DOI: 10.7270/Q2CV4NFV
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50563415 (CHEMBL4786411) Show SMILES OC(=O)Cn1c2cccc(-c3ccc(cc3)-c3cccc4ccccc34)c2oc1=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Wistar rat lens ALR2 assessed as reduction in NADPH oxidation using D,L-glyceraldehyde and NADPH as substrate preincubated for 10 mins ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113269 BindingDB Entry DOI: 10.7270/Q2CV4NFV
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50563416 (CHEMBL4798469) Show SMILES OC(=O)Cn1c2cccc(-c3ccc(cc3)-c3ccc4ccccc4c3)c2oc1=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Wistar rat lens ALR2 assessed as reduction in NADPH oxidation using D,L-glyceraldehyde and NADPH as substrate preincubated for 10 mins ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113269 BindingDB Entry DOI: 10.7270/Q2CV4NFV
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50563409 (CHEMBL4745920) Show SMILES COc1ccc(cc1)-c1cccc2n(CC(O)=O)c(=O)oc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Wistar rat lens ALR2 assessed as reduction in NADPH oxidation using D,L-glyceraldehyde and NADPH as substrate preincubated for 10 mins ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113269 BindingDB Entry DOI: 10.7270/Q2CV4NFV
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50563417 (CHEMBL4740765) Show SMILES OCc1ccc(cc1)-c1cccc2n(CC(O)=O)c(=O)oc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Wistar rat lens ALR2 assessed as reduction in NADPH oxidation using D,L-glyceraldehyde and NADPH as substrate preincubated for 10 mins ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113269 BindingDB Entry DOI: 10.7270/Q2CV4NFV
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50563401 (CHEMBL4760387) Show SMILES COc1ccc(\C=C\c2cccc3n(CC(O)=O)c(=O)oc23)cc1OC Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Wistar rat lens ALR2 assessed as reduction in NADPH oxidation using D,L-glyceraldehyde and NADPH as substrate preincubated for 10 mins ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113269 BindingDB Entry DOI: 10.7270/Q2CV4NFV
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50563400 (CHEMBL4781422) Show SMILES OC(=O)Cn1c2cccc(\C=C\c3ccc(O)cc3)c2oc1=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Wistar rat lens ALR2 assessed as reduction in NADPH oxidation using D,L-glyceraldehyde and NADPH as substrate preincubated for 10 mins ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113269 BindingDB Entry DOI: 10.7270/Q2CV4NFV
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50563404 (CHEMBL4783596) Show SMILES OC(=O)Cn1c2cccc(\C=C\c3ccc(O)c(O)c3)c2oc1=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Wistar rat lens ALR2 assessed as reduction in NADPH oxidation using D,L-glyceraldehyde and NADPH as substrate preincubated for 10 mins ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113269 BindingDB Entry DOI: 10.7270/Q2CV4NFV
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50563397 (CHEMBL4778351) Show SMILES OC(=O)Cn1c2ccc(\C=C\c3ccc(O)cc3)cc2oc1=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Wistar rat lens ALR2 assessed as reduction in NADPH oxidation using D,L-glyceraldehyde and NADPH as substrate preincubated for 10 mins ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113269 BindingDB Entry DOI: 10.7270/Q2CV4NFV
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50563398 (CHEMBL4795113) Show SMILES OC(=O)Cn1c2cccc(\C=C\c3ccccc3)c2oc1=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Wistar rat lens ALR2 assessed as reduction in NADPH oxidation using D,L-glyceraldehyde and NADPH as substrate preincubated for 10 mins ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113269 BindingDB Entry DOI: 10.7270/Q2CV4NFV
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50563410 (CHEMBL4754378) Show SMILES COc1ccc(cc1OC)-c1cccc2n(CC(O)=O)c(=O)oc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Wistar rat lens ALR2 assessed as reduction in NADPH oxidation using D,L-glyceraldehyde and NADPH as substrate preincubated for 10 mins ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113269 BindingDB Entry DOI: 10.7270/Q2CV4NFV
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50563396 (CHEMBL4761856) Show SMILES OC(=O)Cn1c2ccc(\C=C\c3ccccc3)cc2oc1=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Wistar rat lens ALR2 assessed as reduction in NADPH oxidation using D,L-glyceraldehyde and NADPH as substrate preincubated for 10 mins ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113269 BindingDB Entry DOI: 10.7270/Q2CV4NFV
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50563411 (CHEMBL4795983) Show SMILES OC(=O)Cn1c2cccc(-c3ccc(cc3)-c3ccccc3)c2oc1=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Wistar rat lens ALR2 assessed as reduction in NADPH oxidation using D,L-glyceraldehyde and NADPH as substrate preincubated for 10 mins ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113269 BindingDB Entry DOI: 10.7270/Q2CV4NFV
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50563413 (CHEMBL4757301) Show SMILES COc1ccc(c(OC)c1)-c1cccc2n(CC(O)=O)c(=O)oc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Wistar rat lens ALR2 assessed as reduction in NADPH oxidation using D,L-glyceraldehyde and NADPH as substrate preincubated for 10 mins ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113269 BindingDB Entry DOI: 10.7270/Q2CV4NFV
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50563406 (CHEMBL4788090) Show SMILES COc1cc(CCc2cccc3n(CC(O)=O)c(=O)oc23)ccc1O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Wistar rat lens ALR2 assessed as reduction in NADPH oxidation using D,L-glyceraldehyde and NADPH as substrate preincubated for 10 mins ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113269 BindingDB Entry DOI: 10.7270/Q2CV4NFV
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	108	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Wistar rat lens ALR2 assessed as reduction in NADPH oxidation using D,L-glyceraldehyde and NADPH as substrate preincubated for 10 mins ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113269 BindingDB Entry DOI: 10.7270/Q2CV4NFV
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50563405 (CHEMBL4754436) Show SMILES COc1ccc(CCc2cccc3n(CC(O)=O)c(=O)oc23)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	125	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Wistar rat lens ALR2 assessed as reduction in NADPH oxidation using D,L-glyceraldehyde and NADPH as substrate preincubated for 10 mins ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113269 BindingDB Entry DOI: 10.7270/Q2CV4NFV
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50563403 (CHEMBL4747618) Show SMILES OC(=O)Cn1c2cccc(\C=C\c3ccc(cc3)C(F)(F)F)c2oc1=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	143	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Wistar rat lens ALR2 assessed as reduction in NADPH oxidation using D,L-glyceraldehyde and NADPH as substrate preincubated for 10 mins ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113269 BindingDB Entry DOI: 10.7270/Q2CV4NFV
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50563407 (CHEMBL4740105) Show SMILES OC(=O)Cn1c2cccc(-c3ccccc3)c2oc1=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	149	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Wistar rat lens ALR2 assessed as reduction in NADPH oxidation using D,L-glyceraldehyde and NADPH as substrate preincubated for 10 mins ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113269 BindingDB Entry DOI: 10.7270/Q2CV4NFV
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50563395 (CHEMBL4752493) Show SMILES OC(=O)Cn1c2cc(\C=C\c3ccccc3)ccc2oc1=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	226	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Wistar rat lens ALR2 assessed as reduction in NADPH oxidation using D,L-glyceraldehyde and NADPH as substrate preincubated for 10 mins ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113269 BindingDB Entry DOI: 10.7270/Q2CV4NFV
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50563414 (CHEMBL4750185) Show SMILES OC(=O)Cn1c2cccc(-c3ccc(O)c(O)c3)c2oc1=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	387	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Wistar rat lens ALR2 assessed as reduction in NADPH oxidation using D,L-glyceraldehyde and NADPH as substrate preincubated for 10 mins ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113269 BindingDB Entry DOI: 10.7270/Q2CV4NFV
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50563394 (CHEMBL4740952) Show SMILES OC(=O)Cn1c2c(\C=C\c3ccccc3)cccc2oc1=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Wistar rat lens ALR2 assessed as reduction in NADPH oxidation using D,L-glyceraldehyde and NADPH as substrate preincubated for 10 mins ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113269 BindingDB Entry DOI: 10.7270/Q2CV4NFV
					More data for this Ligand-Target Pair