Compile Data Set for Download or QSAR

Found 179 hits with Last Name = 'deruiter' and Initial = 'j'   

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)	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	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of crude aldose reductase of rat lens				J Med Chem 29: 2024-8 (1986) BindingDB Entry DOI: 10.7270/Q2FF3SXW
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibitory concentration against rat lens aldose reductase (uncompetitive inhibition type)				J Med Chem 29: 1094-9 (1986) BindingDB Entry DOI: 10.7270/Q20865WC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of crude aldose reductase of rat lens				J Med Chem 29: 2024-8 (1986) BindingDB Entry DOI: 10.7270/Q2FF3SXW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50022179 ((3-Oxo-3H-benzo[f]chromen-1-yl)-acetic acid | CHEM...) Show SMILES OC(=O)Cc1cc(=O)oc2ccc3ccccc3c12 Show InChI InChI=1S/C15H10O4/c16-13(17)7-10-8-14(18)19-12-6-5-9-3-1-2-4-11(9)15(10)12/h1-6,8H,7H2,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibitory concentration against rat lens aldose reductase (uncompetitive inhibition type)				J Med Chem 29: 1094-9 (1986) BindingDB Entry DOI: 10.7270/Q20865WC
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its ability to inhibit crude aldose reductase obtained from rat lens				J Med Chem 29: 627-9 (1986) BindingDB Entry DOI: 10.7270/Q2RF5T16
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Auburn University Curated by ChEMBL					Assay Description The compound was tested for the inhibition of Aldose reductase in rat lens assay.				J Med Chem 34: 2120-6 (1991) BindingDB Entry DOI: 10.7270/Q2N29VX2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration required to produce 50% inhibition of aldose reductase enzyme (the literature IC50 value for sorbinil is 0.07 uM)				J Med Chem 30: 1595-8 (1987) BindingDB Entry DOI: 10.7270/Q2G15ZTJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50016618 (CHEMBL8370 | [(3-Nitro-benzoyl)-(4-nitro-phenyl)-a...) Show SMILES OC(=O)CN(C(=O)c1cccc(c1)[N+]([O-])=O)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C15H11N3O7/c19-14(20)9-16(11-4-6-12(7-5-11)17(22)23)15(21)10-2-1-3-13(8-10)18(24)25/h1-8H,9H2,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Auburn University Curated by ChEMBL					Assay Description Inhibition of aldose reductase from rat lens. Value ranges from 0.02 -0.64				J Med Chem 32: 1033-8 (1989) BindingDB Entry DOI: 10.7270/Q2CV4GQC
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50022185 ((2-Oxo-2H-benzo[h]chromen-4-yl)-acetic acid | CHEM...) Show SMILES OC(=O)Cc1cc(=O)oc2c1ccc1ccccc21 Show InChI InChI=1S/C15H10O4/c16-13(17)7-10-8-14(18)19-15-11-4-2-1-3-9(11)5-6-12(10)15/h1-6,8H,7H2,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibitory concentration against rat lens aldose reductase (uncompetitive inhibition type)				J Med Chem 29: 1094-9 (1986) BindingDB Entry DOI: 10.7270/Q20865WC
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50022182 ((7-Hydroxy-2-oxo-2H-chromen-4-yl)-acetic acid | 7-...) Show SMILES OC(=O)Cc1cc(=O)oc2cc(O)ccc12 Show InChI InChI=1S/C11H8O5/c12-7-1-2-8-6(3-10(13)14)4-11(15)16-9(8)5-7/h1-2,4-5,12H,3H2,(H,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibitory concentration against rat lens aldose reductase (noncompetitive inhibition type)				J Med Chem 29: 1094-9 (1986) BindingDB Entry DOI: 10.7270/Q20865WC
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Auburn University Curated by ChEMBL					Assay Description Inhibitory concentration against aldose reductase obtained from rat lens				J Med Chem 32: 145-51 (1989) BindingDB Entry DOI: 10.7270/Q2GM87WR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Auburn University Curated by ChEMBL					Assay Description Inhibitory activity against aldose reductase in rat lens				J Med Chem 34: 2120-6 (1991) BindingDB Entry DOI: 10.7270/Q2N29VX2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Auburn University Curated by ChEMBL					Assay Description Inhibition of aldose reductase from rat lens. Value ranges from 0.07 - 1.2				J Med Chem 32: 1033-8 (1989) BindingDB Entry DOI: 10.7270/Q2CV4GQC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50022174 ((7-Ethyl-2-oxo-2H-chromen-4-yl)-acetic acid | CHEM...) Show SMILES CCc1ccc2c(CC(O)=O)cc(=O)oc2c1 Show InChI InChI=1S/C13H12O4/c1-2-8-3-4-10-9(6-12(14)15)7-13(16)17-11(10)5-8/h3-5,7H,2,6H2,1H3,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibitory concentration against rat lens aldose reductase (uncompetitive inhibition type)				J Med Chem 29: 1094-9 (1986) BindingDB Entry DOI: 10.7270/Q20865WC
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50010002 (CHEMBL302057 | [(4-Benzoylamino-benzoyl)-phenyl-am...) Show SMILES OC(=O)CN(C(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccccc1 Show InChI InChI=1S/C22H18N2O4/c25-20(26)15-24(19-9-5-2-6-10-19)22(28)17-11-13-18(14-12-17)23-21(27)16-7-3-1-4-8-16/h1-14H,15H2,(H,23,27)(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Auburn University Curated by ChEMBL					Assay Description Inhibitory activity against aldose reductase in rat lens				J Med Chem 34: 2120-6 (1991) BindingDB Entry DOI: 10.7270/Q2N29VX2
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50022183 ((5,7-Dihydroxy-2-oxo-2H-chromen-4-yl)-acetic acid ...) Show SMILES OC(=O)Cc1cc(=O)oc2cc(O)cc(O)c12 Show InChI InChI=1S/C11H8O6/c12-6-3-7(13)11-5(1-9(14)15)2-10(16)17-8(11)4-6/h2-4,12-13H,1H2,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibitory concentration against rat lens aldose reductase (noncompetitive inhibition type)				J Med Chem 29: 1094-9 (1986) BindingDB Entry DOI: 10.7270/Q20865WC
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50022173 ((7-methoxy-2-oxo-2H-chromen-4-yl)acetic acid | 7-M...) Show SMILES COc1ccc2c(CC(O)=O)cc(=O)oc2c1 Show InChI InChI=1S/C12H10O5/c1-16-8-2-3-9-7(4-11(13)14)5-12(15)17-10(9)6-8/h2-3,5-6H,4H2,1H3,(H,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibitory concentration against rat lens aldose reductase (noncompetitive inhibition type)				J Med Chem 29: 1094-9 (1986) BindingDB Entry DOI: 10.7270/Q20865WC
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50016553 (CHEMBL36108 | [(4-Benzoylamino-benzenesulfonyl)-ph...) Show SMILES OC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1 Show InChI InChI=1S/C21H18N2O5S/c24-20(25)15-23(18-9-5-2-6-10-18)29(27,28)19-13-11-17(12-14-19)22-21(26)16-7-3-1-4-8-16/h1-14H,15H2,(H,22,26)(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Auburn University Curated by ChEMBL					Assay Description Inhibitory concentration against aldose reductase obtained from rat lens				J Med Chem 32: 145-51 (1989) BindingDB Entry DOI: 10.7270/Q2GM87WR
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50016557 ((Naphthalene-2-sulfonylamino)-acetic acid | CHEMBL...) Show SMILES OC(=O)CNS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C12H11NO4S/c14-12(15)8-13-18(16,17)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,13H,8H2,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Auburn University Curated by ChEMBL					Assay Description Inhibitory concentration against aldose reductase obtained from rat lens				J Med Chem 32: 145-51 (1989) BindingDB Entry DOI: 10.7270/Q2GM87WR
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50016550 ((4-Benzoylamino-benzenesulfonylamino)-acetic acid ...) Show SMILES OC(=O)CNS(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1 Show InChI InChI=1S/C15H14N2O5S/c18-14(19)10-16-23(21,22)13-8-6-12(7-9-13)17-15(20)11-4-2-1-3-5-11/h1-9,16H,10H2,(H,17,20)(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of rat aldose reductase enzyme.				J Med Chem 30: 1595-8 (1987) BindingDB Entry DOI: 10.7270/Q2G15ZTJ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50022247 ((4-Methyl-6-nitro-2-oxo-2H-quinolin-1-yl)-acetic a...) Show SMILES Cc1cc(=O)n(CC(O)=O)c2ccc(cc12)[N+]([O-])=O Show InChI InChI=1S/C12H10N2O5/c1-7-4-11(15)13(6-12(16)17)10-3-2-8(14(18)19)5-9(7)10/h2-5H,6H2,1H3,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of crude aldose reductase of rat lens				J Med Chem 29: 2024-8 (1986) BindingDB Entry DOI: 10.7270/Q2FF3SXW
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50022171 ((7-Chloro-2-oxo-2H-chromen-4-yl)-acetic acid | CHE...) Show SMILES OC(=O)Cc1cc(=O)oc2cc(Cl)ccc12 Show InChI InChI=1S/C11H7ClO4/c12-7-1-2-8-6(3-10(13)14)4-11(15)16-9(8)5-7/h1-2,4-5H,3H2,(H,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibitory concentration against rat lens aldose reductase (uncompetitive inhibition type)				J Med Chem 29: 1094-9 (1986) BindingDB Entry DOI: 10.7270/Q20865WC
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50009985 (CHEMBL69716 | [(4-Nitro-benzoyl)-phenyl-amino]-ace...) Show SMILES OC(=O)CN(C(=O)c1ccc(cc1)[N+]([O-])=O)c1ccccc1 Show InChI InChI=1S/C15H12N2O5/c18-14(19)10-16(12-4-2-1-3-5-12)15(20)11-6-8-13(9-7-11)17(21)22/h1-9H,10H2,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
Auburn University Curated by ChEMBL					Assay Description Inhibitory activity against aldose reductase in rat lens				J Med Chem 34: 2120-6 (1991) BindingDB Entry DOI: 10.7270/Q2N29VX2
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50022175 ((2-Oxo-2H-chromen-4-yl)-acetic acid | CHEMBL274190) Show SMILES OC(=O)Cc1cc(=O)oc2ccccc12 Show InChI InChI=1S/C11H8O4/c12-10(13)5-7-6-11(14)15-9-4-2-1-3-8(7)9/h1-4,6H,5H2,(H,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibitory concentration against rat lens aldose reductase (uncompetitive inhibition type)				J Med Chem 29: 1094-9 (1986) BindingDB Entry DOI: 10.7270/Q20865WC
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50016609 ((2-Oxo-2H-benzo[cd]indol-1-yl)-acetic acid | CHEMB...) Show SMILES OC(=O)CN1C(=O)c2cccc3cccc1c23 Show InChI InChI=1S/C13H9NO3/c15-11(16)7-14-10-6-2-4-8-3-1-5-9(12(8)10)13(14)17/h1-6H,7H2,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
Auburn University Curated by ChEMBL					Assay Description Inhibition of aldose reductase from rat lens. Value ranges from 0.15 - 3.3				J Med Chem 32: 1033-8 (1989) BindingDB Entry DOI: 10.7270/Q2CV4GQC
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50022333 (CHEMBL41232 | [4-(3-Phenyl-acryloylamino)-benzenes...) Show SMILES OC(=O)CNS(=O)(=O)c1ccc(NC(=O)\C=C\c2ccccc2)cc1 Show InChI InChI=1S/C17H16N2O5S/c20-16(11-6-13-4-2-1-3-5-13)19-14-7-9-15(10-8-14)25(23,24)18-12-17(21)22/h1-11,18H,12H2,(H,19,20)(H,21,22)/b11-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of rat aldose reductase enzyme.				J Med Chem 30: 1595-8 (1987) BindingDB Entry DOI: 10.7270/Q2G15ZTJ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50016598 (CHEMBL8786 | [Benzoyl-(3-nitro-phenyl)-amino]-acet...) Show SMILES OC(=O)CN(C(=O)c1ccccc1)c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C15H12N2O5/c18-14(19)10-16(15(20)11-5-2-1-3-6-11)12-7-4-8-13(9-12)17(21)22/h1-9H,10H2,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	n/a	n/a
Auburn University Curated by ChEMBL					Assay Description Inhibition of aldose reductase from rat lens. Value ranges from 0.3 - 2.3				J Med Chem 32: 1033-8 (1989) BindingDB Entry DOI: 10.7270/Q2CV4GQC
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50016550 ((4-Benzoylamino-benzenesulfonylamino)-acetic acid ...) Show SMILES OC(=O)CNS(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1 Show InChI InChI=1S/C15H14N2O5S/c18-14(19)10-16-23(21,22)13-8-6-12(7-9-13)17-15(20)11-4-2-1-3-5-11/h1-9,16H,10H2,(H,17,20)(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	880	n/a	n/a	n/a	n/a	n/a	n/a
Auburn University Curated by ChEMBL					Assay Description Inhibitory concentration against aldose reductase obtained from rat lens				J Med Chem 32: 145-51 (1989) BindingDB Entry DOI: 10.7270/Q2GM87WR
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50022249 ((6-Methoxy-2-oxo-2H-quinolin-1-yl)-acetic acid | C...) Show SMILES COc1ccc2n(CC(O)=O)c(=O)ccc2c1 Show InChI InChI=1S/C12H11NO4/c1-17-9-3-4-10-8(6-9)2-5-11(14)13(10)7-12(15)16/h2-6H,7H2,1H3,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	910	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of crude aldose reductase of rat lens				J Med Chem 29: 2024-8 (1986) BindingDB Entry DOI: 10.7270/Q2FF3SXW
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50016604 (CHEMBL267531 | [Benzoyl-(4-methoxy-phenyl)-amino]-...) Show SMILES COc1ccc(cc1)N(CC(O)=O)C(=O)c1ccccc1 Show InChI InChI=1S/C16H15NO4/c1-21-14-9-7-13(8-10-14)17(11-15(18)19)16(20)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	960	n/a	n/a	n/a	n/a	n/a	n/a
Auburn University Curated by ChEMBL					Assay Description Inhibition of aldose reductase from rat lens. Value ranges from 0.1 - 7				J Med Chem 32: 1033-8 (1989) BindingDB Entry DOI: 10.7270/Q2CV4GQC
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50016572 (CHEMBL286389 | [(3-Nitro-benzenesulfonyl)-phenyl-a...) Show SMILES OC(=O)CN(c1ccccc1)S(=O)(=O)c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C14H12N2O6S/c17-14(18)10-15(11-5-2-1-3-6-11)23(21,22)13-8-4-7-12(9-13)16(19)20/h1-9H,10H2,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Auburn University Curated by ChEMBL					Assay Description Inhibitory concentration against aldose reductase obtained from rat lens				J Med Chem 32: 145-51 (1989) BindingDB Entry DOI: 10.7270/Q2GM87WR
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM16415 ((1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic...) Show SMILES OC(=O)CN1C(=O)c2cccc3cccc(C1=O)c23 Show InChI InChI=1S/C14H9NO4/c16-11(17)7-15-13(18)9-5-1-3-8-4-2-6-10(12(8)9)14(15)19/h1-6H,7H2,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of crude aldose reductase of rat lens				J Med Chem 29: 2024-8 (1986) BindingDB Entry DOI: 10.7270/Q2FF3SXW
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50016549 (CHEMBL37072 | [(4-Methoxy-benzenesulfonyl)-phenyl-...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccccc1 Show InChI InChI=1S/C15H15NO5S/c1-21-13-7-9-14(10-8-13)22(19,20)16(11-15(17)18)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Auburn University Curated by ChEMBL					Assay Description Inhibitory concentration against aldose reductase obtained from rat lens				J Med Chem 32: 145-51 (1989) BindingDB Entry DOI: 10.7270/Q2GM87WR
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50022181 (3-(7-Methoxy-2-oxo-2H-chromen-4-yl)-propionic acid...) Show SMILES COc1ccc2c(CCC(O)=O)cc(=O)oc2c1 Show InChI InChI=1S/C13H12O5/c1-17-9-3-4-10-8(2-5-12(14)15)6-13(16)18-11(10)7-9/h3-4,6-7H,2,5H2,1H3,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibitory concentration against rat lens aldose reductase (noncompetitive inhibition type)				J Med Chem 29: 1094-9 (1986) BindingDB Entry DOI: 10.7270/Q20865WC
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50022337 ((4-Phenylacetylamino-benzenesulfonylamino)-acetic ...) Show SMILES OC(=O)CNS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)cc1 Show InChI InChI=1S/C16H16N2O5S/c19-15(10-12-4-2-1-3-5-12)18-13-6-8-14(9-7-13)24(22,23)17-11-16(20)21/h1-9,17H,10-11H2,(H,18,19)(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of rat aldose reductase enzyme.				J Med Chem 30: 1595-8 (1987) BindingDB Entry DOI: 10.7270/Q2G15ZTJ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50022252 ((6-Hydroxy-2-oxo-2H-quinolin-1-yl)-acetic acid | C...) Show SMILES OC(=O)Cn1c2ccc(O)cc2ccc1=O Show InChI InChI=1S/C11H9NO4/c13-8-2-3-9-7(5-8)1-4-10(14)12(9)6-11(15)16/h1-5,13H,6H2,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of crude aldose reductase of rat lens				J Med Chem 29: 2024-8 (1986) BindingDB Entry DOI: 10.7270/Q2FF3SXW
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50367835 (CHEMBL1907953) Show SMILES OC(=O)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1 |r| Show InChI InChI=1S/C18H15NO4S/c20-18(21)17(14-7-2-1-3-8-14)19-24(22,23)16-11-10-13-6-4-5-9-15(13)12-16/h1-12,17,19H,(H,20,21)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Auburn University Curated by ChEMBL					Assay Description Inhibitory concentration against aldose reductase obtained from rat lens				J Med Chem 32: 145-51 (1989) BindingDB Entry DOI: 10.7270/Q2GM87WR
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50022338 (CHEMBL417523 | [4-(2-Phenoxy-acetylamino)-benzenes...) Show SMILES OC(=O)CNS(=O)(=O)c1ccc(NC(=O)COc2ccccc2)cc1 Show InChI InChI=1S/C16H16N2O6S/c19-15(11-24-13-4-2-1-3-5-13)18-12-6-8-14(9-7-12)25(22,23)17-10-16(20)21/h1-9,17H,10-11H2,(H,18,19)(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.64E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of rat aldose reductase enzyme.				J Med Chem 30: 1595-8 (1987) BindingDB Entry DOI: 10.7270/Q2G15ZTJ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50022334 (CHEMBL40666 | [4-(3-Phenyl-ureido)-benzenesulfonyl...) Show SMILES OC(=O)CNS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 Show InChI InChI=1S/C15H15N3O5S/c19-14(20)10-16-24(22,23)13-8-6-12(7-9-13)18-15(21)17-11-4-2-1-3-5-11/h1-9,16H,10H2,(H,19,20)(H2,17,18,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of rat aldose reductase enzyme.				J Med Chem 30: 1595-8 (1987) BindingDB Entry DOI: 10.7270/Q2G15ZTJ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50009990 (CHEMBL305251 | [(4-Benzoylamino-benzoyl)-methyl-am...) Show SMILES CN(CC(O)=O)C(=O)c1ccc(NC(=O)c2ccccc2)cc1 Show InChI InChI=1S/C17H16N2O4/c1-19(11-15(20)21)17(23)13-7-9-14(10-8-13)18-16(22)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,18,22)(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Auburn University Curated by ChEMBL					Assay Description Inhibitory activity against aldose reductase in rat lens				J Med Chem 34: 2120-6 (1991) BindingDB Entry DOI: 10.7270/Q2N29VX2
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50016596 ((Benzoyl-p-tolyl-amino)-acetic acid | CHEMBL275007) Show SMILES Cc1ccc(cc1)N(CC(O)=O)C(=O)c1ccccc1 Show InChI InChI=1S/C16H15NO3/c1-12-7-9-14(10-8-12)17(11-15(18)19)16(20)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Auburn University Curated by ChEMBL					Assay Description Inhibition of aldose reductase from rat lens. Value ranges from 0.5 - 16				J Med Chem 32: 1033-8 (1989) BindingDB Entry DOI: 10.7270/Q2CV4GQC
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50009983 (CHEMBL308898 | [(4-Methoxy-benzoyl)-phenyl-amino]-...) Show SMILES COc1ccc(cc1)C(=O)N(CC(O)=O)c1ccccc1 Show InChI InChI=1S/C16H15NO4/c1-21-14-9-7-12(8-10-14)16(20)17(11-15(18)19)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Auburn University Curated by ChEMBL					Assay Description Inhibitory activity against aldose reductase in rat lens				J Med Chem 34: 2120-6 (1991) BindingDB Entry DOI: 10.7270/Q2N29VX2
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50022245 ((8-Hydroxy-2-oxo-2H-quinolin-1-yl)-acetic acid | C...) Show SMILES OC(=O)Cn1c2c(O)cccc2ccc1=O Show InChI InChI=1S/C11H9NO4/c13-8-3-1-2-7-4-5-9(14)12(11(7)8)6-10(15)16/h1-5,13H,6H2,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of crude aldose reductase of rat lens				J Med Chem 29: 2024-8 (1986) BindingDB Entry DOI: 10.7270/Q2FF3SXW
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50022342 (CHEMBL40681 | [4-(2-Benzyloxy-acetylamino)-benzene...) Show SMILES OC(=O)CNS(=O)(=O)c1ccc(NC(=O)COCc2ccccc2)cc1 Show InChI InChI=1S/C17H18N2O6S/c20-16(12-25-11-13-4-2-1-3-5-13)19-14-6-8-15(9-7-14)26(23,24)18-10-17(21)22/h1-9,18H,10-12H2,(H,19,20)(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of rat aldose reductase enzyme.				J Med Chem 30: 1595-8 (1987) BindingDB Entry DOI: 10.7270/Q2G15ZTJ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50016591 (CHEMBL34976 | [(2-Nitro-benzenesulfonyl)-phenyl-am...) Show SMILES OC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+]([O-])=O Show InChI InChI=1S/C14H12N2O6S/c17-14(18)10-15(11-6-2-1-3-7-11)23(21,22)13-9-5-4-8-12(13)16(19)20/h1-9H,10H2,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Auburn University Curated by ChEMBL					Assay Description Inhibitory concentration against aldose reductase obtained from rat lens				J Med Chem 32: 145-51 (1989) BindingDB Entry DOI: 10.7270/Q2GM87WR
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50009992 (CHEMBL69549 | [(4-Methyl-benzoyl)-phenyl-amino]-ac...) Show SMILES Cc1ccc(cc1)C(=O)N(CC(O)=O)c1ccccc1 Show InChI InChI=1S/C16H15NO3/c1-12-7-9-13(10-8-12)16(20)17(11-15(18)19)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Auburn University Curated by ChEMBL					Assay Description Inhibitory activity against aldose reductase in rat lens				J Med Chem 34: 2120-6 (1991) BindingDB Entry DOI: 10.7270/Q2N29VX2
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50022345 ((4-Acetylamino-benzenesulfonylamino)-acetic acid |...) Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NCC(O)=O Show InChI InChI=1S/C10H12N2O5S/c1-7(13)12-8-2-4-9(5-3-8)18(16,17)11-6-10(14)15/h2-5,11H,6H2,1H3,(H,12,13)(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of rat aldose reductase enzyme.				J Med Chem 30: 1595-8 (1987) BindingDB Entry DOI: 10.7270/Q2G15ZTJ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50022187 (3-(7-Methoxy-2-oxo-2H-chromen-4-yl)-acrylic acid |...) Show SMILES COc1ccc2c(\C=C\C(O)=O)cc(=O)oc2c1 Show InChI InChI=1S/C13H10O5/c1-17-9-3-4-10-8(2-5-12(14)15)6-13(16)18-11(10)7-9/h2-7H,1H3,(H,14,15)/b5-2+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibitory concentration against rat lens aldose reductase (uncompetitive inhibition type)				J Med Chem 29: 1094-9 (1986) BindingDB Entry DOI: 10.7270/Q20865WC
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50016551 (CHEMBL37003 | [(4-Nitro-benzenesulfonyl)-phenyl-am...) Show SMILES OC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C14H12N2O6S/c17-14(18)10-15(11-4-2-1-3-5-11)23(21,22)13-8-6-12(7-9-13)16(19)20/h1-9H,10H2,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Auburn University Curated by ChEMBL					Assay Description Inhibitory concentration against aldose reductase obtained from rat lens				J Med Chem 32: 145-51 (1989) BindingDB Entry DOI: 10.7270/Q2GM87WR
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50016576 (CHEMBL35870 | [(Naphthalene-2-sulfonyl)-phenyl-ami...) Show SMILES OC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C18H15NO4S/c20-18(21)13-19(16-8-2-1-3-9-16)24(22,23)17-11-10-14-6-4-5-7-15(14)12-17/h1-12H,13H2,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Auburn University Curated by ChEMBL					Assay Description Inhibitory concentration against aldose reductase obtained from rat lens				J Med Chem 32: 145-51 (1989) BindingDB Entry DOI: 10.7270/Q2GM87WR
					More data for this Ligand-Target Pair

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