Compile Data Set for Download or QSAR

Found 55 hits Enz. Inhib. hit(s) with all data for entry = 50005072   

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)	BDBM50487936 (CHEBI:48480 | CHEMBL2261578) Show SMILES COC(=O)c1cc2cc3cc4cc(CC(O)=O)c(C(=O)\C=C(/O)c5ccccc5O)c(OC)c4c(OC)c3c(O)c2c(=O)o1 Show InChI InChI=1S/C32H24O12/c1-41-29-24(21(35)13-20(34)18-6-4-5-7-19(18)33)17(12-23(36)37)10-15-8-14-9-16-11-22(31(39)43-3)44-32(40)26(16)28(38)25(14)30(42-2)27(15)29/h4-11,13,33-34,38H,12H2,1-3H3,(H,36,37)/b20-13-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Rattus norvegicus (rat) lens aldose reductase				Citation and Details Article DOI: 10.1007/s00044-011-9681-6 BindingDB Entry DOI: 10.7270/Q2J1061V
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50487916 (CHEMBL2261575) Show SMILES OC(=O)CCC1(O)OC2=CC(=O)c3c(O)cc(O)cc3C2=C1c1ccccc1 |c:22,t:8| Show InChI InChI=1S/C21H16O7/c22-12-8-13-18(14(23)9-12)15(24)10-16-19(13)20(11-4-2-1-3-5-11)21(27,28-16)7-6-17(25)26/h1-5,8-10,22-23,27H,6-7H2,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Rattus norvegicus (rat) lens aldose reductase				Citation and Details Article DOI: 10.1007/s00044-011-9681-6 BindingDB Entry DOI: 10.7270/Q2J1061V
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50487917 (CHEMBL2261574) Show SMILES OC(=O)CCC1(O)OC2=CC(=O)c3c(O)cc(O)cc3C2=C1c1ccc(O)cc1 |c:22,t:8| Show InChI InChI=1S/C21H16O8/c22-11-3-1-10(2-4-11)20-19-13-7-12(23)8-14(24)18(13)15(25)9-16(19)29-21(20,28)6-5-17(26)27/h1-4,7-9,22-24,28H,5-6H2,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	8.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Rattus norvegicus (rat) lens aldose reductase				Citation and Details Article DOI: 10.1007/s00044-011-9681-6 BindingDB Entry DOI: 10.7270/Q2J1061V
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50487908 (CHEMBL2261306) Show SMILES C[C@H]1COC2=C1C(=O)[C@](O)(CC(C)=O)c1c2ccc2c(C)cccc12 |r,c:4| Show InChI InChI=1S/C21H20O4/c1-11-5-4-6-15-14(11)7-8-16-18(15)21(24,9-13(3)22)20(23)17-12(2)10-25-19(16)17/h4-8,12,24H,9-10H2,1-3H3/t12-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Rattus norvegicus (rat) lens aldose reductase				Citation and Details Article DOI: 10.1007/s00044-011-9681-6 BindingDB Entry DOI: 10.7270/Q2J1061V
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM4078 (6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...) Show SMILES Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O Show InChI InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Rattus norvegicus (rat) lens aldose reductase				Citation and Details Article DOI: 10.1007/s00044-011-9681-6 BindingDB Entry DOI: 10.7270/Q2J1061V
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50487941 (CHEMBL2261576) Show SMILES Oc1cc(O)c2C(=O)C=C3OC4(O)CC(=O)c5c(O)cc(O)cc5C4=C3c2c1 |c:26,t:8| Show InChI InChI=1S/C20H12O8/c21-7-1-9-16(11(23)3-7)13(25)5-15-18(9)19-10-2-8(22)4-12(24)17(10)14(26)6-20(19,27)28-15/h1-5,21-24,27H,6H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	339	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Rattus norvegicus (rat) lens aldose reductase				Citation and Details Article DOI: 10.1007/s00044-011-9681-6 BindingDB Entry DOI: 10.7270/Q2J1061V
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50487937 (CHEMBL2261568) Show SMILES C[C@H](C1Cc2c(O1)cc1C(=O)N(CC(O)=O)C(=O)c1c2O)C(O)=O |r| Show InChI InChI=1S/C15H13NO8/c1-5(15(22)23)8-2-6-9(24-8)3-7-11(12(6)19)14(21)16(13(7)20)4-10(17)18/h3,5,8,19H,2,4H2,1H3,(H,17,18)(H,22,23)/t5-,8?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article	n/a	n/a	447	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Rattus norvegicus (rat) lens aldose reductase				Citation and Details Article DOI: 10.1007/s00044-011-9681-6 BindingDB Entry DOI: 10.7270/Q2J1061V
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50487938 (CHEMBL2261558) Show SMILES O[C@H]1C(C[C@@](O)(C[C@@H]1OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O)OC(=O)\C=C\c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20?,23+,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article	n/a	n/a	457	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Rattus norvegicus (rat) lens aldose reductase				Citation and Details Article DOI: 10.1007/s00044-011-9681-6 BindingDB Entry DOI: 10.7270/Q2J1061V
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50476406 (DANSHENXINKUN A) Show SMILES CC(CO)C1=C(O)C(=O)c2c(ccc3c(C)cccc23)C1=O |c:4| Show InChI InChI=1S/C18H16O4/c1-9-4-3-5-12-11(9)6-7-13-15(12)18(22)17(21)14(16(13)20)10(2)8-19/h3-7,10,19,21H,8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article	n/a	n/a	871	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Rattus norvegicus (rat) lens aldose reductase				Citation and Details Article DOI: 10.1007/s00044-011-9681-6 BindingDB Entry DOI: 10.7270/Q2J1061V
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM83922 (1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]be...) Show SMILES Cc1coc-2c1C(=O)C(=O)c1c3CCCC(C)(C)c3ccc-21 Show InChI InChI=1S/C19H18O3/c1-10-9-22-18-12-6-7-13-11(5-4-8-19(13,2)3)15(12)17(21)16(20)14(10)18/h6-7,9H,4-5,8H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article	n/a	n/a	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Rattus norvegicus (rat) lens aldose reductase				Citation and Details Article DOI: 10.1007/s00044-011-9681-6 BindingDB Entry DOI: 10.7270/Q2J1061V
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50423877 (DIHYDROTANSHINONE | Dihydrotanshinone I | acs.jmed...) Show SMILES C[C@H]1COC2=C1C(=O)C(=O)c1c2ccc2c(C)cccc12 |r,c:4| Show InChI InChI=1S/C18H14O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h3-7,10H,8H2,1-2H3/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Rattus norvegicus (rat) lens aldose reductase				Citation and Details Article DOI: 10.1007/s00044-011-9681-6 BindingDB Entry DOI: 10.7270/Q2J1061V
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50487914 (CHEMBL2261565) Show SMILES C[C@H](C1Cc2c(O1)cc1C(=O)N(CC(O)=O)Cc1c2O)C(O)=O |r| Show InChI InChI=1S/C15H15NO7/c1-6(15(21)22)10-3-8-11(23-10)2-7-9(13(8)19)4-16(14(7)20)5-12(17)18/h2,6,10,19H,3-5H2,1H3,(H,17,18)(H,21,22)/t6-,10?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Rattus norvegicus (rat) lens aldose reductase				Citation and Details Article DOI: 10.1007/s00044-011-9681-6 BindingDB Entry DOI: 10.7270/Q2J1061V
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50487949 (CHEMBL2261307) Show SMILES C[C@H]1COC2=C1C(=O)[C@](O)(CC(C)=O)c1c3CCCC(C)(C)c3ccc21 |r,c:4| Show InChI InChI=1S/C22H26O4/c1-12-11-26-19-15-7-8-16-14(6-5-9-21(16,3)4)18(15)22(25,10-13(2)23)20(24)17(12)19/h7-8,12,25H,5-6,9-11H2,1-4H3/t12-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article	n/a	n/a	1.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Rattus norvegicus (rat) lens aldose reductase				Citation and Details Article DOI: 10.1007/s00044-011-9681-6 BindingDB Entry DOI: 10.7270/Q2J1061V
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50487945 (CHEMBL2261555) Show SMILES O[C@H]1C[C@](O)(CC(OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H]1O)C(O)=O |r| Show InChI InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12?,14-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article	n/a	n/a	1.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Rattus norvegicus (rat) lens aldose reductase				Citation and Details Article DOI: 10.1007/s00044-011-9681-6 BindingDB Entry DOI: 10.7270/Q2J1061V
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50487954 (CHEMBL2259657) Show SMILES C[C@H](C1Cc2c(O1)cc1C(=O)N(C(C)C(O)=O)C(=O)c1c2O)C(O)=O |r| Show InChI InChI=1S/C16H15NO8/c1-5(15(21)22)9-3-7-10(25-9)4-8-11(12(7)18)14(20)17(13(8)19)6(2)16(23)24/h4-6,9,18H,3H2,1-2H3,(H,21,22)(H,23,24)/t5-,6?,9?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Rattus norvegicus (rat) lens aldose reductase				Citation and Details Article DOI: 10.1007/s00044-011-9681-6 BindingDB Entry DOI: 10.7270/Q2J1061V
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50487950 (CHEMBL2261303) Show SMILES OC(=O)C1Cc2c(oc(=O)c3cc(O)c(O)c(O)c23)C1=O Show InChI InChI=1S/C13H8O8/c14-6-2-4-7(10(17)9(6)16)3-1-5(12(18)19)8(15)11(3)21-13(4)20/h2,5,14,16-17H,1H2,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Rattus norvegicus (rat) lens aldose reductase				Citation and Details Article DOI: 10.1007/s00044-011-9681-6 BindingDB Entry DOI: 10.7270/Q2J1061V
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50487948 (CHEMBL2261308) Show SMILES OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c2O[C@@H]([C@@H](C(=O)O[C@@H](Cc3ccc(O)c(O)c3)C(O)=O)c12)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C36H30O16/c37-20-6-1-16(11-24(20)41)13-27(34(45)46)50-29(44)10-5-18-3-9-23(40)33-30(18)31(32(52-33)19-4-8-22(39)26(43)15-19)36(49)51-28(35(47)48)14-17-2-7-21(38)25(42)12-17/h1-12,15,27-28,31-32,37-43H,13-14H2,(H,45,46)(H,47,48)/b10-5+/t27-,28+,31+,32-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article	n/a	n/a	2.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Rattus norvegicus (rat) lens aldose reductase				Citation and Details Article DOI: 10.1007/s00044-011-9681-6 BindingDB Entry DOI: 10.7270/Q2J1061V
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50487933 (CHEMBL2261309) Show SMILES O[C@H]([C@@H](Oc1ccc(\C=C\C(=O)O[C@H](Cc2ccc(O)c(O)c2)C(O)=O)cc1O)C(O)=O)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C27H24O13/c28-16-5-1-14(10-18(16)30)11-22(26(35)36)39-23(33)8-3-13-2-7-21(20(32)9-13)40-25(27(37)38)24(34)15-4-6-17(29)19(31)12-15/h1-10,12,22,24-25,28-32,34H,11H2,(H,35,36)(H,37,38)/b8-3+/t22-,24+,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	2.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Rattus norvegicus (rat) lens aldose reductase				Citation and Details Article DOI: 10.1007/s00044-011-9681-6 BindingDB Entry DOI: 10.7270/Q2J1061V
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50487932 (CHEMBL2261310) Show SMILES OCC(O)C(O)C(O)(Oc1ccc(\C=C\C(=O)O[C@H](Cc2ccc(O)c(O)c2)C(O)=O)cc1O)C(O)C=O |r| Show InChI InChI=1S/C24H26O14/c25-10-17(30)22(33)24(36,20(31)11-26)38-18-5-2-12(7-16(18)29)3-6-21(32)37-19(23(34)35)9-13-1-4-14(27)15(28)8-13/h1-8,11,17,19-20,22,25,27-31,33,36H,9-10H2,(H,34,35)/b6-3+/t17?,19-,20?,22?,24?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article	n/a	n/a	3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Rattus norvegicus (rat) lens aldose reductase				Citation and Details Article DOI: 10.1007/s00044-011-9681-6 BindingDB Entry DOI: 10.7270/Q2J1061V
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50133496 ((2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydr...) Show SMILES OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	3.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Rattus norvegicus (rat) lens aldose reductase				Citation and Details Article DOI: 10.1007/s00044-011-9681-6 BindingDB Entry DOI: 10.7270/Q2J1061V
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50487922 (CHEMBL2261566) Show SMILES C[C@H](C1Cc2c(O1)cc1C(=O)N(Cc1c2O)C(C)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C16H17NO7/c1-6(15(20)21)11-4-9-12(24-11)3-8-10(13(9)18)5-17(14(8)19)7(2)16(22)23/h3,6-7,11,18H,4-5H2,1-2H3,(H,20,21)(H,22,23)/t6-,7?,11?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article	n/a	n/a	4.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Rattus norvegicus (rat) lens aldose reductase				Citation and Details Article DOI: 10.1007/s00044-011-9681-6 BindingDB Entry DOI: 10.7270/Q2J1061V
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM57938 ((1R)-1,6,6-trimethyl-2,7,8,9-tetrahydro-1H-naphtho...) Show SMILES C[C@H]1COC2=C1C(=O)C(=O)c1c3CCCC(C)(C)c3ccc21 |c:4| Show InChI InChI=1S/C19H20O3/c1-10-9-22-18-12-6-7-13-11(5-4-8-19(13,2)3)15(12)17(21)16(20)14(10)18/h6-7,10H,4-5,8-9H2,1-3H3/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	4.79E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Rattus norvegicus (rat) lens aldose reductase				Citation and Details Article DOI: 10.1007/s00044-011-9681-6 BindingDB Entry DOI: 10.7270/Q2J1061V
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50487934 (CHEMBL2261304) Show SMILES CCOC(=O)C1Cc2c(oc(=O)c3cc(O)c(O)c(O)c23)C1=O Show InChI InChI=1S/C15H12O8/c1-2-22-14(20)7-3-5-9-6(4-8(16)11(18)12(9)19)15(21)23-13(5)10(7)17/h4,7,16,18-19H,2-3H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Rattus norvegicus (rat) lens aldose reductase				Citation and Details Article DOI: 10.1007/s00044-011-9681-6 BindingDB Entry DOI: 10.7270/Q2J1061V
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50487921 (CHEMBL2261567) Show SMILES C[C@H](C1Cc2c(O1)cc1C(=O)NC(=O)c1c2O)C(O)=O |r| Show InChI InChI=1S/C13H11NO6/c1-4(13(18)19)7-2-5-8(20-7)3-6-9(10(5)15)12(17)14-11(6)16/h3-4,7,15H,2H2,1H3,(H,18,19)(H,14,16,17)/t4-,7?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article	n/a	n/a	5.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Rattus norvegicus (rat) lens aldose reductase				Citation and Details Article DOI: 10.1007/s00044-011-9681-6 BindingDB Entry DOI: 10.7270/Q2J1061V
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50487920 (CHEMBL2261569) Show SMILES C[C@H]1OC=C2C(O)=C(C(C)=O)C(=O)C(C)=C2[C@@H]1C |r,c:14,t:3,6| Show InChI InChI=1S/C14H16O4/c1-6-9(4)18-5-10-11(6)7(2)13(16)12(8(3)15)14(10)17/h5-6,9,17H,1-4H3/t6-,9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	8.71E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Rattus norvegicus (rat) lens aldose reductase				Citation and Details Article DOI: 10.1007/s00044-011-9681-6 BindingDB Entry DOI: 10.7270/Q2J1061V
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50487935 (CHEMBL2261302) Show SMILES COc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O Show InChI InChI=1S/C15H8O8/c1-21-7-3-5-9-8-4(14(19)23-13(9)11(7)18)2-6(16)10(17)12(8)22-15(5)20/h2-3,16-18H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Rattus norvegicus (rat) lens aldose reductase				Citation and Details Article DOI: 10.1007/s00044-011-9681-6 BindingDB Entry DOI: 10.7270/Q2J1061V
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM51317 (1,6-dimethylnaphtho[1,2-g][1]benzofuran-10,11-dion...) Show SMILES Cc1coc-2c1C(=O)C(=O)c1c-2ccc2c(C)cccc12 Show InChI InChI=1S/C18H12O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h3-8H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Rattus norvegicus (rat) lens aldose reductase				Citation and Details Article DOI: 10.1007/s00044-011-9681-6 BindingDB Entry DOI: 10.7270/Q2J1061V
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50487923 (CHEMBL2261564) Show SMILES CC(CCC(O)=O)N1Cc2c(cc3OC(Cc3c2O)[C@@H](C)C(O)=O)C1=O |r| Show InChI InChI=1S/C18H21NO7/c1-8(3-4-15(20)21)19-7-12-10(17(19)23)5-14-11(16(12)22)6-13(26-14)9(2)18(24)25/h5,8-9,13,22H,3-4,6-7H2,1-2H3,(H,20,21)(H,24,25)/t8?,9-,13?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Rattus norvegicus (rat) lens aldose reductase				Citation and Details Article DOI: 10.1007/s00044-011-9681-6 BindingDB Entry DOI: 10.7270/Q2J1061V
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50487918 (CHEMBL2261573) Show SMILES C[C@H]1OCc2c(O)c(cc(C)c2[C@@H]1C)C(O)=O |r| Show InChI InChI=1S/C13H16O4/c1-6-4-9(13(15)16)12(14)10-5-17-8(3)7(2)11(6)10/h4,7-8,14H,5H2,1-3H3,(H,15,16)/t7-,8-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Rattus norvegicus (rat) lens aldose reductase				Citation and Details Article DOI: 10.1007/s00044-011-9681-6 BindingDB Entry DOI: 10.7270/Q2J1061V
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50487939 (CHEMBL2261312) Show SMILES CC(=C)[C@H]1CCC(COC2OC(CO)[C@H](O)[C@@H](O)[C@@H]2O)=CC1 |r,c:20| Show InChI InChI=1S/C16H26O6/c1-9(2)11-5-3-10(4-6-11)8-21-16-15(20)14(19)13(18)12(7-17)22-16/h3,11-20H,1,4-8H2,2H3/t11-,12?,13+,14-,15+,16?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	1.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Rattus norvegicus (rat) lens aldose reductase				Citation and Details Article DOI: 10.1007/s00044-011-9681-6 BindingDB Entry DOI: 10.7270/Q2J1061V
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50487915 (CHEMBL2261577) Show SMILES OC1CC(=O)C1=O Show InChI InChI=1S/C4H4O3/c5-2-1-3(6)4(2)7/h2,5H,1H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	1.91E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Rattus norvegicus (rat) lens aldose reductase				Citation and Details Article DOI: 10.1007/s00044-011-9681-6 BindingDB Entry DOI: 10.7270/Q2J1061V
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50487943 (TETRAHYDROFUROGUAIACIN B) Show SMILES COc1cc(ccc1O)[C@H]1O[C@H]([C@@H](C)[C@H]1C)c1ccc(O)c(OC)c1 |r| Show InChI InChI=1S/C20H24O5/c1-11-12(2)20(14-6-8-16(22)18(10-14)24-4)25-19(11)13-5-7-15(21)17(9-13)23-3/h5-12,19-22H,1-4H3/t11-,12+,19+,20-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article	n/a	n/a	2.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Rattus norvegicus (rat) lens aldose reductase				Citation and Details Article DOI: 10.1007/s00044-011-9681-6 BindingDB Entry DOI: 10.7270/Q2J1061V
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50487952 (CHEMBL2261563) Show SMILES COc1cc(ccc1O)[C@H]1O[C@@H]([C@H](C)[C@@H]1C)c1ccc(O)c(OC)c1 |r| Show InChI InChI=1S/C20H24O5/c1-11-12(2)20(14-6-8-16(22)18(10-14)24-4)25-19(11)13-5-7-15(21)17(9-13)23-3/h5-12,19-22H,1-4H3/t11-,12+,19-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article	n/a	n/a	2.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Rattus norvegicus (rat) lens aldose reductase				Citation and Details Article DOI: 10.1007/s00044-011-9681-6 BindingDB Entry DOI: 10.7270/Q2J1061V
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50487947 (CHEMBL3349184) Show SMILES CC(=C)C1CCC(COC2O[C@H](CO)[C@H](O)[C@@H](O)C2O)CC1 |r,wU:11.11,14.14,wD:16.16,(20,-16.5,;19.23,-15.16,;20,-13.83,;17.69,-15.16,;16.89,-16.47,;15.37,-16.44,;14.63,-15.09,;13.1,-15.06,;12.36,-13.71,;10.81,-13.71,;10.05,-12.38,;8.51,-12.38,;7.74,-11.05,;8.51,-9.71,;7.73,-13.71,;6.19,-13.71,;8.51,-15.05,;7.74,-16.38,;10.05,-15.05,;10.82,-16.38,;15.42,-13.78,;16.95,-13.82,)| Show InChI InChI=1S/C16H28O6/c1-9(2)11-5-3-10(4-6-11)8-21-16-15(20)14(19)13(18)12(7-17)22-16/h10-20H,1,3-8H2,2H3/t10?,11?,12-,13+,14-,15?,16?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	2.82E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Rattus norvegicus (rat) lens aldose reductase				Citation and Details Article DOI: 10.1007/s00044-011-9681-6 BindingDB Entry DOI: 10.7270/Q2J1061V
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50487928 (CHEMBL2261554) Show SMILES CC(=O)c1c(O)cc(O)cc1O[C@@H]1OC(COC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C21H22O13/c1-7(22)15-10(24)4-9(23)5-13(15)33-21-19(30)18(29)17(28)14(34-21)6-32-20(31)8-2-11(25)16(27)12(26)3-8/h2-5,14,17-19,21,23-30H,6H2,1H3/t14?,17-,18-,19-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	2.88E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Rattus norvegicus (rat) lens aldose reductase				Citation and Details Article DOI: 10.1007/s00044-011-9681-6 BindingDB Entry DOI: 10.7270/Q2J1061V
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50487919 (6-METHOXY-3,7-DIMETHYLISOCHROMAN-8-OL) Show SMILES COc1cc2CC(C)OCc2c(O)c1C Show InChI InChI=1S/C12H16O3/c1-7-4-9-5-11(14-3)8(2)12(13)10(9)6-15-7/h5,7,13H,4,6H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	3.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Rattus norvegicus (rat) lens aldose reductase				Citation and Details Article DOI: 10.1007/s00044-011-9681-6 BindingDB Entry DOI: 10.7270/Q2J1061V
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50487910 (CHEMBL2261572) Show SMILES CNC(=O)Oc1c(C)c(OC)cc2CC(C)OCc12 Show InChI InChI=1S/C14H19NO4/c1-8-5-10-6-12(17-4)9(2)13(11(10)7-18-8)19-14(16)15-3/h6,8H,5,7H2,1-4H3,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	3.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Rattus norvegicus (rat) lens aldose reductase				Citation and Details Article DOI: 10.1007/s00044-011-9681-6 BindingDB Entry DOI: 10.7270/Q2J1061V
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50487944 (CHEMBL2261561) Show SMILES CCOc1ccc(cc1OC)C(=O)C(\C)=C(\C)C(=O)c1ccc(O)c(OC)c1 Show InChI InChI=1S/C22H24O6/c1-6-28-18-10-8-16(12-20(18)27-5)22(25)14(3)13(2)21(24)15-7-9-17(23)19(11-15)26-4/h7-12,23H,6H2,1-5H3/b14-13-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	3.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Rattus norvegicus (rat) lens aldose reductase				Citation and Details Article DOI: 10.1007/s00044-011-9681-6 BindingDB Entry DOI: 10.7270/Q2J1061V
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50487929 (CHEMBL2261553) Show SMILES CC(C)c1ccc2c(CCC3[C@](C)(CCC[C@]23C)C(O)=O)c1 |r| Show InChI InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article	n/a	n/a	3.55E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Rattus norvegicus (rat) lens aldose reductase				Citation and Details Article DOI: 10.1007/s00044-011-9681-6 BindingDB Entry DOI: 10.7270/Q2J1061V
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50487924 (CHEMBL2261562) Show SMILES COc1cc(C[C@@H](C)C(\C)=C/c2ccc(O)c(OC)c2)ccc1O |r| Show InChI InChI=1S/C20H24O4/c1-13(9-15-5-7-17(21)19(11-15)23-3)14(2)10-16-6-8-18(22)20(12-16)24-4/h5-9,11-12,14,21-22H,10H2,1-4H3/b13-9-/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	3.55E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Rattus norvegicus (rat) lens aldose reductase				Citation and Details Article DOI: 10.1007/s00044-011-9681-6 BindingDB Entry DOI: 10.7270/Q2J1061V
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50487926 (CHEMBL2261559) Show SMILES COc1cc2[C@H](O)[C@@H](C)[C@@H](C)Cc3cc(O)c(OC)c(OC)c3-c2c(OC)c1OC |r| Show InChI InChI=1S/C23H30O7/c1-11-8-13-9-15(24)20(27-4)22(29-6)17(13)18-14(19(25)12(11)2)10-16(26-3)21(28-5)23(18)30-7/h9-12,19,24-25H,8H2,1-7H3/t11-,12-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article	n/a	n/a	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Rattus norvegicus (rat) lens aldose reductase				Citation and Details Article DOI: 10.1007/s00044-011-9681-6 BindingDB Entry DOI: 10.7270/Q2J1061V
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50216278 (CHEMBL228326 | nectandrin B) Show SMILES COc1cc(ccc1O)[C@H]1O[C@H]([C@H](C)[C@@H]1C)c1ccc(O)c(OC)c1 |r| Show InChI InChI=1S/C20H24O5/c1-11-12(2)20(14-6-8-16(22)18(10-14)24-4)25-19(11)13-5-7-15(21)17(9-13)23-3/h5-12,19-22H,1-4H3/t11-,12+,19-,20+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Rattus norvegicus (rat) lens aldose reductase				Citation and Details Article DOI: 10.1007/s00044-011-9681-6 BindingDB Entry DOI: 10.7270/Q2J1061V
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50487930 (CHEMBL2261552) Show SMILES CC(C)c1ccc2c(CCC3[C@@](C)(CO)CCC[C@]23C)c1 |r| Show InChI InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18,21H,5,7,9-11,13H2,1-4H3/t18?,19-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article	n/a	n/a	3.89E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Rattus norvegicus (rat) lens aldose reductase				Citation and Details Article DOI: 10.1007/s00044-011-9681-6 BindingDB Entry DOI: 10.7270/Q2J1061V
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50487951 (CHEBI:42646 | FLAVIOLIN) Show SMILES OC1=CC(=O)c2c(O)cc(O)cc2C1=O |t:1| Show InChI InChI=1S/C10H6O5/c11-4-1-5-9(6(12)2-4)7(13)3-8(14)10(5)15/h1-3,11-12,14H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem	Article	n/a	n/a	4.37E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Rattus norvegicus (rat) lens aldose reductase				Citation and Details Article DOI: 10.1007/s00044-011-9681-6 BindingDB Entry DOI: 10.7270/Q2J1061V
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50487927 (CHEMBL2261557) Show SMILES CC1(C)CC2C1CC[C@@]1(C)C[C@]2(O)CC[C@@H]1O |r| Show InChI InChI=1S/C15H26O2/c1-13(2)8-11-10(13)4-6-14(3)9-15(11,17)7-5-12(14)16/h10-12,16-17H,4-9H2,1-3H3/t10?,11?,12-,14-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	4.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Rattus norvegicus (rat) lens aldose reductase				Citation and Details Article DOI: 10.1007/s00044-011-9681-6 BindingDB Entry DOI: 10.7270/Q2J1061V
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50487912 (CHEMBL3349183) Show SMILES CC(=C)C1CCC(CO[C@H]2OC(CO)C(O)[C@H](O)[C@@H]2O)CC1 |r,wU:9.8,wD:16.16,18.19,(4.55,-23.33,;6.09,-23.33,;6.85,-24.67,;6.87,-22,;6.11,-20.66,;6.88,-19.34,;8.43,-19.34,;9.2,-18.01,;8.43,-16.67,;6.89,-16.67,;6.12,-18,;4.58,-18,;3.82,-19.33,;4.59,-20.66,;3.81,-16.67,;2.27,-16.67,;4.58,-15.33,;3.82,-14,;6.12,-15.33,;6.9,-14,;9.19,-20.68,;8.41,-22.01,)| Show InChI InChI=1S/C16H28O6/c1-9(2)11-5-3-10(4-6-11)8-21-16-15(20)14(19)13(18)12(7-17)22-16/h10-20H,1,3-8H2,2H3/t10?,11?,12?,13?,14-,15-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	4.68E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Rattus norvegicus (rat) lens aldose reductase				Citation and Details Article DOI: 10.1007/s00044-011-9681-6 BindingDB Entry DOI: 10.7270/Q2J1061V
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50487953 (CHEMBL2261315) Show SMILES C[C@H]1C(=O)CC(=O)C2[C@]1(C)CCC1[C@@]2(C)CC[C@@]2(C)C3CC(C)(C)CC[C@]3(C)[C@H](C[C@]12CO)OC(C)=O |r| Show InChI InChI=1S/C32H50O5/c1-19-21(35)15-22(36)26-28(19,5)10-9-23-30(26,7)13-14-31(8)24-16-27(3,4)11-12-29(24,6)25(37-20(2)34)17-32(23,31)18-33/h19,23-26,33H,9-18H2,1-8H3/t19-,23?,24?,25-,26?,28+,29-,30+,31-,32-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	4.79E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Rattus norvegicus (rat) lens aldose reductase				Citation and Details Article DOI: 10.1007/s00044-011-9681-6 BindingDB Entry DOI: 10.7270/Q2J1061V
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50487940 (CHEMBL2261305) Show SMILES CCCC\C=C\CCCCCCCCCC1=C(OC)C(=O)C=C(OC)C1=O |c:15,t:21| Show InChI InChI=1S/C23H36O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22(25)21(26-2)18-20(24)23(19)27-3/h7-8,18H,4-6,9-17H2,1-3H3/b8-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	5.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Rattus norvegicus (rat) lens aldose reductase				Citation and Details Article DOI: 10.1007/s00044-011-9681-6 BindingDB Entry DOI: 10.7270/Q2J1061V
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50487931 (CHEMBL2261316) Show SMILES CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]1(C)C2CC=C2C3C[C@@](C)(C[C@@H](O)[C@]3(C)CC[C@@]12C)C(O)=O |r,t:18| Show InChI InChI=1S/C30H48O4/c1-25(2)20-10-13-30(7)21(28(20,5)12-11-22(25)31)9-8-18-19-16-26(3,24(33)34)17-23(32)27(19,4)14-15-29(18,30)6/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19?,20?,21?,22-,23+,26-,27+,28-,29+,30+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	5.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Rattus norvegicus (rat) lens aldose reductase				Citation and Details Article DOI: 10.1007/s00044-011-9681-6 BindingDB Entry DOI: 10.7270/Q2J1061V
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50487913 (CHEMBL2261311) Show SMILES CC(=C)[C@H]1CCC(COC2OC(CO)[C@H](O)[C@H](O)[C@H]2O)=CC1 |r,c:20| Show InChI InChI=1S/C16H26O6/c1-9(2)11-5-3-10(4-6-11)8-21-16-15(20)14(19)13(18)12(7-17)22-16/h3,11-20H,1,4-8H2,2H3/t11-,12?,13+,14+,15-,16?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	5.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Rattus norvegicus (rat) lens aldose reductase				Citation and Details Article DOI: 10.1007/s00044-011-9681-6 BindingDB Entry DOI: 10.7270/Q2J1061V
					More data for this Ligand-Target Pair

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