Compile Data Set for Download or QSAR

Found 180 hits with Last Name = 'kitade' and Initial = 'y'   

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 B10 (Homo sapiens (Human))	BDBM50442489 (CHEMBL2440417) Show SMILES COc1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)NCc1ccccc1 Show InChI InChI=1S/C24H20N2O4/c1-29-20-11-8-18(9-12-20)26-24-21(13-17-7-10-19(27)14-22(17)30-24)23(28)25-15-16-5-3-2-4-6-16/h2-14,27H,15H2,1H3,(H,25,28)/b26-24-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Competitive inhibition of wild-type human recombinant N-terminal His6-tagged AKR1B10 expressed in Escherichia coli using geraniol as substrate by dou...				Bioorg Med Chem 21: 6378-84 (2013) Article DOI: 10.1016/j.bmc.2013.08.059 BindingDB Entry DOI: 10.7270/Q25T3MX4
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B10 (Homo sapiens (Human))	BDBM50321717 (7-hydroxy-2-(4-methoxyphenylimino)-N-(pyridin-2-yl...) Show SMILES COc1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)Nc1ccccn1 Show InChI InChI=1S/C22H17N3O4/c1-28-17-9-6-15(7-10-17)24-22-18(21(27)25-20-4-2-3-11-23-20)12-14-5-8-16(26)13-19(14)29-22/h2-13,26H,1H3,(H,23,25,27)/b24-22-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of dehydrogenase activity of N-terminal 6His-tagged AKR1B10 expressed in Escherichia coli BL21(DE3) assessed as inhibition of geraniol deh...				Bioorg Med Chem 18: 2485-90 (2010) Article DOI: 10.1016/j.bmc.2010.02.050 BindingDB Entry DOI: 10.7270/Q2K35TTH
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B10 (Homo sapiens (Human))	BDBM50321718 (2-(2,4-dimethoxyphenylimino)-7-hydroxy-N-(pyridin-...) Show SMILES COc1ccc(\N=c2/oc3cc(O)ccc3cc2C(=O)Nc2ccccn2)c(OC)c1 Show InChI InChI=1S/C23H19N3O5/c1-29-16-8-9-18(20(13-16)30-2)25-23-17(22(28)26-21-5-3-4-10-24-21)11-14-6-7-15(27)12-19(14)31-23/h3-13,27H,1-2H3,(H,24,26,28)/b25-23-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of dehydrogenase activity of N-terminal 6His-tagged AKR1B10 expressed in Escherichia coli BL21(DE3) assessed as inhibition of geraniol deh...				Bioorg Med Chem 18: 2485-90 (2010) Article DOI: 10.1016/j.bmc.2010.02.050 BindingDB Entry DOI: 10.7270/Q2K35TTH
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B10 (Homo sapiens (Human))	BDBM50321715 (2-(2,5-dimethoxyphenylimino)-7-hydroxy-N-(pyridin-...) Show SMILES COc1ccc(OC)c(c1)\N=c1/oc2cc(O)ccc2cc1C(=O)Nc1ccccn1 Show InChI InChI=1S/C23H19N3O5/c1-29-16-8-9-19(30-2)18(13-16)25-23-17(22(28)26-21-5-3-4-10-24-21)11-14-6-7-15(27)12-20(14)31-23/h3-13,27H,1-2H3,(H,24,26,28)/b25-23-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of dehydrogenase activity of N-terminal 6His-tagged AKR1B10 expressed in Escherichia coli BL21(DE3) assessed as inhibition of geraniol deh...				Bioorg Med Chem 18: 2485-90 (2010) Article DOI: 10.1016/j.bmc.2010.02.050 BindingDB Entry DOI: 10.7270/Q2K35TTH
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B10 (Homo sapiens (Human))	BDBM50321716 (2-(3,4-dimethoxyphenylimino)-7-hydroxy-N-(6-methyl...) Show SMILES COc1ccc(cc1OC)\N=c1/oc2cc(O)ccc2cc1C(=O)Nc1cccc(C)n1 Show InChI InChI=1S/C24H21N3O5/c1-14-5-4-6-22(25-14)27-23(29)18-11-15-7-9-17(28)13-20(15)32-24(18)26-16-8-10-19(30-2)21(12-16)31-3/h4-13,28H,1-3H3,(H,25,27,29)/b26-24-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of dehydrogenase activity of N-terminal 6His-tagged AKR1B10 expressed in Escherichia coli BL21(DE3) assessed as inhibition of geraniol deh...				Bioorg Med Chem 18: 2485-90 (2010) Article DOI: 10.1016/j.bmc.2010.02.050 BindingDB Entry DOI: 10.7270/Q2K35TTH
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50135288 ((1S,2R,3S,4R)-4-(6-Amino-purin-9-yl)-cyclopentane-...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H13N5O3/c11-9-6-10(13-2-12-9)15(3-14-6)4-1-5(16)8(18)7(4)17/h2-5,7-8,16-18H,1H2,(H2,11,12,13)/t4-,5+,7+,8-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human S-adenosyl-L-homocysteine hydrolase				Bioorg Med Chem Lett 13: 3963-5 (2003) BindingDB Entry DOI: 10.7270/Q2125S2X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosylhomocysteinase (Plasmodium falciparum 3D7)	BDBM50135288 ((1S,2R,3S,4R)-4-(6-Amino-purin-9-yl)-cyclopentane-...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H13N5O3/c11-9-6-10(13-2-12-9)15(3-14-6)4-1-5(16)8(18)7(4)17/h2-5,7-8,16-18H,1H2,(H2,11,12,13)/t4-,5+,7+,8-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Inhibitory activity of the compound against P. falciparum S-adenosyl-L-homocysteine hydrolase				Bioorg Med Chem Lett 13: 3963-5 (2003) BindingDB Entry DOI: 10.7270/Q2125S2X
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Plasmodium falciparum 3D7)	BDBM50135289 ((1S,2R,3S,4R)-4-(6-Amino-2-fluoro-purin-9-yl)-cycl...) Show SMILES Nc1nc(F)nc2n(cnc12)[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H12FN5O3/c11-10-14-8(12)5-9(15-10)16(2-13-5)3-1-4(17)7(19)6(3)18/h2-4,6-7,17-19H,1H2,(H2,12,14,15)/t3-,4+,6+,7-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human S-adenosyl-L-homocysteine hydrolase				Bioorg Med Chem Lett 13: 3963-5 (2003) BindingDB Entry DOI: 10.7270/Q2125S2X
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50135289 ((1S,2R,3S,4R)-4-(6-Amino-2-fluoro-purin-9-yl)-cycl...) Show SMILES Nc1nc(F)nc2n(cnc12)[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H12FN5O3/c11-10-14-8(12)5-9(15-10)16(2-13-5)3-1-4(17)7(19)6(3)18/h2-4,6-7,17-19H,1H2,(H2,12,14,15)/t3-,4+,6+,7-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human S-adenosyl-L-homocysteine hydrolase				Bioorg Med Chem Lett 13: 3963-5 (2003) BindingDB Entry DOI: 10.7270/Q2125S2X
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50081472 ((2S,3S)-4-(6-Amino-purin-9-yl)-2,3-dihydroxy-butyr...) Show SMILES Nc1ncnc2n(C[C@H](O)[C@H](O)C=O)cnc12 |r| Show InChI InChI=1S/C9H11N5O3/c10-8-7-9(12-3-11-8)14(4-13-7)1-5(16)6(17)2-15/h2-6,16-17H,1H2,(H2,10,11,12)/t5-,6+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Inhibition of human SAHH				Bioorg Med Chem 16: 6575-9 (2008) Article DOI: 10.1016/j.bmc.2008.05.020 BindingDB Entry DOI: 10.7270/Q2SN08SX
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50081472 ((2S,3S)-4-(6-Amino-purin-9-yl)-2,3-dihydroxy-butyr...) Show SMILES Nc1ncnc2n(C[C@H](O)[C@H](O)C=O)cnc12 |r| Show InChI InChI=1S/C9H11N5O3/c10-8-7-9(12-3-11-8)14(4-13-7)1-5(16)6(17)2-15/h2-6,16-17H,1H2,(H2,10,11,12)/t5-,6+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Affinity and reactivity of an affinity-labeling reagent, was assessed from the inhibitory constant value				Bioorg Med Chem Lett 9: 2737-40 (1999) BindingDB Entry DOI: 10.7270/Q28C9VFG
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50244094 (9-[(10R,20S,30S,40R)-30,40-Epoxy-20-hydroxy-cyclop...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C[C@H]2O[C@H]2[C@H]1O |r| Show InChI InChI=1S/C10H11N5O2/c11-9-6-10(13-2-12-9)15(3-14-6)4-1-5-8(17-5)7(4)16/h2-5,7-8,16H,1H2,(H2,11,12,13)/t4-,5-,7+,8-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.24E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Inhibition of human SAHH				Bioorg Med Chem 16: 6575-9 (2008) Article DOI: 10.1016/j.bmc.2008.05.020 BindingDB Entry DOI: 10.7270/Q2SN08SX
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50244095 (9-[(10R,20S,30R,50R)-30,40-Epoxy-20-hydroxy-cyclop...) Show SMILES Nc1nc(F)nc2n(cnc12)[C@@H]1C[C@H]2O[C@H]2[C@H]1O |r| Show InChI InChI=1S/C10H10FN5O2/c11-10-14-8(12)5-9(15-10)16(2-13-5)3-1-4-7(18-4)6(3)17/h2-4,6-7,17H,1H2,(H2,12,14,15)/t3-,4-,6+,7-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.03E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Inhibition of human SAHH				Bioorg Med Chem 16: 6575-9 (2008) Article DOI: 10.1016/j.bmc.2008.05.020 BindingDB Entry DOI: 10.7270/Q2SN08SX
					More data for this Ligand-Target Pair
2-5A-dependent ribonuclease (Homo sapiens (Human))	BDBM50085553 (CHEMBL214603 | Oligoadenylate analogue) Show SMILES Cc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=O)O[C@@H]4[C@H](O)[C@@H](COP(O)(=O)O[C@@H]5[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]5n5cnc6c(N)ncnc56)O[C@H]4n4cnc5c(N)ncnc45)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C31H42N15O25P5/c1-10-42-25(34)16-28(43-10)46(9-41-16)29-20(50)17(47)11(65-29)2-62-73(54,55)68-21-18(48)12(66-30(21)44-7-39-14-23(32)35-5-37-26(14)44)3-63-74(56,57)69-22-19(49)13(4-64-75(58,59)71-76(60,61)70-72(51,52)53)67-31(22)45-8-40-15-24(33)36-6-38-27(15)45/h5-9,11-13,17-22,29-31,47-50H,2-4H2,1H3,(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H2,32,35,37)(H2,33,36,38)(H2,34,42,43)(H2,51,52,53)/t11-,12-,13-,17-,18-,19-,20-,21-,22-,29-,30-,31-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.720	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Compound was tested for its binding ability, by displacement of p(A2'p)3A3'[32p]p5'Cp from recombinant human ribonuclease L				Bioorg Med Chem Lett 10: 329-31 (2000) BindingDB Entry DOI: 10.7270/Q2TM79B4
					More data for this Ligand-Target Pair
2-5A-dependent ribonuclease (Homo sapiens (Human))	BDBM50085558 (CHEMBL402676 | Oligoadenylate analogue) Show SMILES Cc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=O)O[C@@H]4[C@H](O)[C@@H](COP(O)(=O)O[C@@H]5[C@H](O)[C@@H](COP(O)(O)=O)O[C@H]5n5cnc6c(N)ncnc56)O[C@H]4n4cnc5c(N)ncnc45)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C31H40N15O19P3/c1-10-42-25(34)16-28(43-10)46(9-41-16)29-20(50)17(47)11(61-29)3-59-67(54,55)65-22-19(49)13(63-31(22)45-8-40-15-24(33)36-6-38-27(15)45)4-60-68(56,57)64-21-18(48)12(2-58-66(51,52)53)62-30(21)44-7-39-14-23(32)35-5-37-26(14)44/h5-9,11-13,17-22,29-31,47-50H,2-4H2,1H3,(H,54,55)(H,56,57)(H2,32,35,37)(H2,33,36,38)(H2,34,42,43)(H2,51,52,53)/t11-,12-,13-,17-,18-,19-,20-,21-,22-,29-,30-,31-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Activation of purified recombinant human Ribonuclease L by the compound was measured as degradation of poly (U) 3'[32P]p5'C3'p				Bioorg Med Chem Lett 10: 329-31 (2000) BindingDB Entry DOI: 10.7270/Q2TM79B4
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B10 (Homo sapiens (Human))	BDBM50442489 (CHEMBL2440417) Show SMILES COc1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)NCc1ccccc1 Show InChI InChI=1S/C24H20N2O4/c1-29-20-11-8-18(9-12-20)26-24-21(13-17-7-10-19(27)14-22(17)30-24)23(28)25-15-16-5-3-2-4-6-16/h2-14,27H,15H2,1H3,(H,25,28)/b26-24-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His6-tagged AKR1B10 expressed in Escherichia coli by fluorescence assay in presence of NADPH				Bioorg Med Chem 21: 6378-84 (2013) Article DOI: 10.1016/j.bmc.2013.08.059 BindingDB Entry DOI: 10.7270/Q25T3MX4
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B10 (Homo sapiens (Human))	BDBM50321717 (7-hydroxy-2-(4-methoxyphenylimino)-N-(pyridin-2-yl...) Show SMILES COc1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)Nc1ccccn1 Show InChI InChI=1S/C22H17N3O4/c1-28-17-9-6-15(7-10-17)24-22-18(21(27)25-20-4-2-3-11-23-20)12-14-5-8-16(26)13-19(14)29-22/h2-13,26H,1H3,(H,23,25,27)/b24-22-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of reductase activity of N-terminal 6His-tagged AKR1B10 expressed in Escherichia coli BL21(DE3) assessed as inhibition of NADPH linked pyr...				Bioorg Med Chem 18: 2485-90 (2010) Article DOI: 10.1016/j.bmc.2010.02.050 BindingDB Entry DOI: 10.7270/Q2K35TTH
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B10 (Homo sapiens (Human))	BDBM50321717 (7-hydroxy-2-(4-methoxyphenylimino)-N-(pyridin-2-yl...) Show SMILES COc1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)Nc1ccccn1 Show InChI InChI=1S/C22H17N3O4/c1-28-17-9-6-15(7-10-17)24-22-18(21(27)25-20-4-2-3-11-23-20)12-14-5-8-16(26)13-19(14)29-22/h2-13,26H,1H3,(H,23,25,27)/b24-22-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His6-tagged AKR1B10 expressed in Escherichia coli by fluorescence assay in presence of NADPH				Bioorg Med Chem 21: 6378-84 (2013) Article DOI: 10.1016/j.bmc.2013.08.059 BindingDB Entry DOI: 10.7270/Q25T3MX4
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50442506 (CHEMBL2440411) Show SMILES COc1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)NC(C)C Show InChI InChI=1S/C20H20N2O4/c1-12(2)21-19(24)17-10-13-4-7-15(23)11-18(13)26-20(17)22-14-5-8-16(25-3)9-6-14/h4-12,23H,1-3H3,(H,21,24)/b22-20-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His6-tagged AKR1B1 expressed in Escherichia coli by fluorescence assay in presence of NADPH				Bioorg Med Chem 21: 6378-84 (2013) Article DOI: 10.1016/j.bmc.2013.08.059 BindingDB Entry DOI: 10.7270/Q25T3MX4
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member A1 (Homo sapiens (Human))	BDBM50038843 ((4R)-2-(4-bromo-2-fluorobenzyl)-6-fluoro-1H,2'H,5'...) Show SMILES Fc1ccc2C(=O)N(Cc3ccc(Br)cc3F)C(=O)[C@]3(CC(=O)NC3=O)c2c1 |r| Show InChI InChI=1S/C19H11BrF2N2O4/c20-10-2-1-9(14(22)5-10)8-24-16(26)12-4-3-11(21)6-13(12)19(18(24)28)7-15(25)23-17(19)27/h1-6H,7-8H2,(H,23,25,27)/t19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal 6His-tagged human aldehyde reductase expressed in Escherichia coli BL21(DE3) mediated D-glucuronate reduction				Bioorg Med Chem 18: 2485-90 (2010) Article DOI: 10.1016/j.bmc.2010.02.050 BindingDB Entry DOI: 10.7270/Q2K35TTH
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B10 (Homo sapiens (Human))	BDBM50442501 (CHEMBL2440422) Show SMILES Oc1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)Nc1ccccn1 Show InChI InChI=1S/C21H15N3O4/c25-15-8-5-14(6-9-15)23-21-17(20(27)24-19-3-1-2-10-22-19)11-13-4-7-16(26)12-18(13)28-21/h1-12,25-26H,(H,22,24,27)/b23-21-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His6-tagged AKR1B10 expressed in Escherichia coli by fluorescence assay in presence of NADPH				Bioorg Med Chem 21: 6378-84 (2013) Article DOI: 10.1016/j.bmc.2013.08.059 BindingDB Entry DOI: 10.7270/Q25T3MX4
					More data for this Ligand-Target Pair
2-5A-dependent ribonuclease (Homo sapiens (Human))	BDBM50085554 (5'-O-MONOPHOSPHORYLADENYLYL(2'->5')ADENYLYL(2'->5'...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)O[C@@H]2[C@H](O)[C@@H](COP(O)(=O)O[C@@H]3[C@H](O)[C@@H](COP(O)(O)=O)O[C@H]3n3cnc4c(N)ncnc34)O[C@H]2n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O Show InChI InChI=1S/C30H38N15O19P3/c31-22-13-25(37-4-34-22)43(7-40-13)28-19(49)16(46)10(60-28)2-58-66(53,54)64-21-18(48)12(62-30(21)45-9-42-15-24(33)36-6-39-27(15)45)3-59-67(55,56)63-20-17(47)11(1-57-65(50,51)52)61-29(20)44-8-41-14-23(32)35-5-38-26(14)44/h4-12,16-21,28-30,46-49H,1-3H2,(H,53,54)(H,55,56)(H2,31,34,37)(H2,32,35,38)(H2,33,36,39)(H2,50,51,52)/t10-,11-,12-,16-,17-,18-,19-,20-,21-,28-,29-,30-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	MMDB PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Activation of purified recombinant human Ribonuclease L by the compound was measured as degradation of [32P]-pC11U2C7				Bioorg Med Chem Lett 10: 329-31 (2000) BindingDB Entry DOI: 10.7270/Q2TM79B4
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B10 (Homo sapiens (Human))	BDBM50442504 (CHEMBL2440423) Show SMILES OC(=O)c1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)Nc1ccccn1 Show InChI InChI=1S/C22H15N3O5/c26-16-9-6-14-11-17(20(27)25-19-3-1-2-10-23-19)21(30-18(14)12-16)24-15-7-4-13(5-8-15)22(28)29/h1-12,26H,(H,28,29)(H,23,25,27)/b24-21-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His6-tagged AKR1B10 expressed in Escherichia coli by fluorescence assay in presence of NADPH				Bioorg Med Chem 21: 6378-84 (2013) Article DOI: 10.1016/j.bmc.2013.08.059 BindingDB Entry DOI: 10.7270/Q25T3MX4
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B10 (Homo sapiens (Human))	BDBM50442499 (CHEMBL2440424) Show SMILES Cc1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)Nc1ccccn1 Show InChI InChI=1S/C22H17N3O3/c1-14-5-8-16(9-6-14)24-22-18(21(27)25-20-4-2-3-11-23-20)12-15-7-10-17(26)13-19(15)28-22/h2-13,26H,1H3,(H,23,25,27)/b24-22-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His6-tagged AKR1B10 expressed in Escherichia coli by fluorescence assay in presence of NADPH				Bioorg Med Chem 21: 6378-84 (2013) Article DOI: 10.1016/j.bmc.2013.08.059 BindingDB Entry DOI: 10.7270/Q25T3MX4
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B10 (Homo sapiens (Human))	BDBM50442495 (CHEMBL2440416) Show SMILES COc1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)NCCCO Show InChI InChI=1S/C20H20N2O5/c1-26-16-7-4-14(5-8-16)22-20-17(19(25)21-9-2-10-23)11-13-3-6-15(24)12-18(13)27-20/h3-8,11-12,23-24H,2,9-10H2,1H3,(H,21,25)/b22-20-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.80	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His6-tagged AKR1B10 expressed in Escherichia coli by fluorescence assay in presence of NADPH				Bioorg Med Chem 21: 6378-84 (2013) Article DOI: 10.1016/j.bmc.2013.08.059 BindingDB Entry DOI: 10.7270/Q25T3MX4
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B10 (Homo sapiens (Human))	BDBM50442506 (CHEMBL2440411) Show SMILES COc1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)NC(C)C Show InChI InChI=1S/C20H20N2O4/c1-12(2)21-19(24)17-10-13-4-7-15(23)11-18(13)26-20(17)22-14-5-8-16(25-3)9-6-14/h4-12,23H,1-3H3,(H,21,24)/b22-20-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.70	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His6-tagged AKR1B10 expressed in Escherichia coli by fluorescence assay in presence of NADPH				Bioorg Med Chem 21: 6378-84 (2013) Article DOI: 10.1016/j.bmc.2013.08.059 BindingDB Entry DOI: 10.7270/Q25T3MX4
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16314 (2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...) Show SMILES COc1ccc2c(cccc2c1C(F)(F)F)C(=S)N(C)CC(O)=O Show InChI InChI=1S/C16H14F3NO3S/c1-20(8-13(21)22)15(24)11-5-3-4-10-9(11)6-7-12(23-2)14(10)16(17,18)19/h3-7H,8H2,1-2H3,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal 6His-tagged human aldose reductase expressed in Escherichia coli BL21(DE3) mediated NADPH linked pyridine-3-aldehyde reducti...				Bioorg Med Chem 18: 2485-90 (2010) Article DOI: 10.1016/j.bmc.2010.02.050 BindingDB Entry DOI: 10.7270/Q2K35TTH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B10 (Homo sapiens (Human))	BDBM50442498 (CHEMBL2440414) Show SMILES COc1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)NC1CCCCC1 Show InChI InChI=1S/C23H24N2O4/c1-28-19-11-8-17(9-12-19)25-23-20(22(27)24-16-5-3-2-4-6-16)13-15-7-10-18(26)14-21(15)29-23/h7-14,16,26H,2-6H2,1H3,(H,24,27)/b25-23-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His6-tagged AKR1B10 expressed in Escherichia coli by fluorescence assay in presence of NADPH				Bioorg Med Chem 21: 6378-84 (2013) Article DOI: 10.1016/j.bmc.2013.08.059 BindingDB Entry DOI: 10.7270/Q25T3MX4
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B10 (Homo sapiens (Human))	BDBM50442502 (CHEMBL2440415) Show SMILES COc1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)NCCO Show InChI InChI=1S/C19H18N2O5/c1-25-15-6-3-13(4-7-15)21-19-16(18(24)20-8-9-22)10-12-2-5-14(23)11-17(12)26-19/h2-7,10-11,22-23H,8-9H2,1H3,(H,20,24)/b21-19-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His6-tagged AKR1B10 expressed in Escherichia coli by fluorescence assay in presence of NADPH				Bioorg Med Chem 21: 6378-84 (2013) Article DOI: 10.1016/j.bmc.2013.08.059 BindingDB Entry DOI: 10.7270/Q25T3MX4
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50321717 (7-hydroxy-2-(4-methoxyphenylimino)-N-(pyridin-2-yl...) Show SMILES COc1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)Nc1ccccn1 Show InChI InChI=1S/C22H17N3O4/c1-28-17-9-6-15(7-10-17)24-22-18(21(27)25-20-4-2-3-11-23-20)12-14-5-8-16(26)13-19(14)29-22/h2-13,26H,1H3,(H,23,25,27)/b24-22-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His6-tagged AKR1B1 expressed in Escherichia coli by fluorescence assay in presence of NADPH				Bioorg Med Chem 21: 6378-84 (2013) Article DOI: 10.1016/j.bmc.2013.08.059 BindingDB Entry DOI: 10.7270/Q25T3MX4
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50321717 (7-hydroxy-2-(4-methoxyphenylimino)-N-(pyridin-2-yl...) Show SMILES COc1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)Nc1ccccn1 Show InChI InChI=1S/C22H17N3O4/c1-28-17-9-6-15(7-10-17)24-22-18(21(27)25-20-4-2-3-11-23-20)12-14-5-8-16(26)13-19(14)29-22/h2-13,26H,1H3,(H,23,25,27)/b24-22-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal 6His-tagged human aldose reductase expressed in Escherichia coli BL21(DE3) mediated NADPH linked pyridine-3-aldehyde reducti...				Bioorg Med Chem 18: 2485-90 (2010) Article DOI: 10.1016/j.bmc.2010.02.050 BindingDB Entry DOI: 10.7270/Q2K35TTH
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B10 (Homo sapiens (Human))	BDBM50442494 (CHEMBL2440428) Show SMILES Oc1ccc2cc(C(=O)Nc3ccccn3)\c(=N\c3ccccc3)oc2c1 Show InChI InChI=1S/C21H15N3O3/c25-16-10-9-14-12-17(20(26)24-19-8-4-5-11-22-19)21(27-18(14)13-16)23-15-6-2-1-3-7-15/h1-13,25H,(H,22,24,26)/b23-21-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His6-tagged AKR1B10 expressed in Escherichia coli by fluorescence assay in presence of NADPH				Bioorg Med Chem 21: 6378-84 (2013) Article DOI: 10.1016/j.bmc.2013.08.059 BindingDB Entry DOI: 10.7270/Q25T3MX4
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50442505 (CHEMBL2440426) Show SMILES Oc1ccc2cc(C(=O)Nc3ccccn3)\c(=N\c3ccc(I)cc3)oc2c1 Show InChI InChI=1S/C21H14IN3O3/c22-14-5-7-15(8-6-14)24-21-17(20(27)25-19-3-1-2-10-23-19)11-13-4-9-16(26)12-18(13)28-21/h1-12,26H,(H,23,25,27)/b24-21-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His6-tagged AKR1B1 expressed in Escherichia coli by fluorescence assay in presence of NADPH				Bioorg Med Chem 21: 6378-84 (2013) Article DOI: 10.1016/j.bmc.2013.08.059 BindingDB Entry DOI: 10.7270/Q25T3MX4
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B10 (Homo sapiens (Human))	BDBM50442503 (CHEMBL2440427) Show SMILES OC(=O)Cc1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)Nc1ccccn1 Show InChI InChI=1S/C23H17N3O5/c27-17-9-6-15-12-18(22(30)26-20-3-1-2-10-24-20)23(31-19(15)13-17)25-16-7-4-14(5-8-16)11-21(28)29/h1-10,12-13,27H,11H2,(H,28,29)(H,24,26,30)/b25-23-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His6-tagged AKR1B10 expressed in Escherichia coli by fluorescence assay in presence of NADPH				Bioorg Med Chem 21: 6378-84 (2013) Article DOI: 10.1016/j.bmc.2013.08.059 BindingDB Entry DOI: 10.7270/Q25T3MX4
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B10 (Homo sapiens (Human))	BDBM50442505 (CHEMBL2440426) Show SMILES Oc1ccc2cc(C(=O)Nc3ccccn3)\c(=N\c3ccc(I)cc3)oc2c1 Show InChI InChI=1S/C21H14IN3O3/c22-14-5-7-15(8-6-14)24-21-17(20(27)25-19-3-1-2-10-23-19)11-13-4-9-16(26)12-18(13)28-21/h1-12,26H,(H,23,25,27)/b24-21-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His6-tagged AKR1B10 expressed in Escherichia coli by fluorescence assay in presence of NADPH				Bioorg Med Chem 21: 6378-84 (2013) Article DOI: 10.1016/j.bmc.2013.08.059 BindingDB Entry DOI: 10.7270/Q25T3MX4
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B10 (Homo sapiens (Human))	BDBM50442500 (CHEMBL2440425) Show SMILES Oc1ccc2cc(C(=O)Nc3ccccn3)\c(=N\c3ccc(Br)cc3)oc2c1 Show InChI InChI=1S/C21H14BrN3O3/c22-14-5-7-15(8-6-14)24-21-17(20(27)25-19-3-1-2-10-23-19)11-13-4-9-16(26)12-18(13)28-21/h1-12,26H,(H,23,25,27)/b24-21-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His6-tagged AKR1B10 expressed in Escherichia coli by fluorescence assay in presence of NADPH				Bioorg Med Chem 21: 6378-84 (2013) Article DOI: 10.1016/j.bmc.2013.08.059 BindingDB Entry DOI: 10.7270/Q25T3MX4
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B10 (Homo sapiens (Human))	BDBM50321718 (2-(2,4-dimethoxyphenylimino)-7-hydroxy-N-(pyridin-...) Show SMILES COc1ccc(\N=c2/oc3cc(O)ccc3cc2C(=O)Nc2ccccn2)c(OC)c1 Show InChI InChI=1S/C23H19N3O5/c1-29-16-8-9-18(20(13-16)30-2)25-23-17(22(28)26-21-5-3-4-10-24-21)11-14-6-7-15(27)12-19(14)31-23/h3-13,27H,1-2H3,(H,24,26,28)/b25-23-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of reductase activity of N-terminal 6His-tagged AKR1B10 expressed in Escherichia coli BL21(DE3) assessed as inhibition of NADPH linked pyr...				Bioorg Med Chem 18: 2485-90 (2010) Article DOI: 10.1016/j.bmc.2010.02.050 BindingDB Entry DOI: 10.7270/Q2K35TTH
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B10 (Homo sapiens (Human))	BDBM50442496 (CHEMBL2440413) Show SMILES COc1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)NCC(C)C Show InChI InChI=1S/C21H22N2O4/c1-13(2)12-22-20(25)18-10-14-4-7-16(24)11-19(14)27-21(18)23-15-5-8-17(26-3)9-6-15/h4-11,13,24H,12H2,1-3H3,(H,22,25)/b23-21-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His6-tagged AKR1B10 expressed in Escherichia coli by fluorescence assay in presence of NADPH				Bioorg Med Chem 21: 6378-84 (2013) Article DOI: 10.1016/j.bmc.2013.08.059 BindingDB Entry DOI: 10.7270/Q25T3MX4
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B10 (Homo sapiens (Human))	BDBM50442497 (CHEMBL2440412) Show SMILES CCCCNC(=O)c1cc2ccc(O)cc2o\c1=N/c1ccc(OC)cc1 Show InChI InChI=1S/C21H22N2O4/c1-3-4-11-22-20(25)18-12-14-5-8-16(24)13-19(14)27-21(18)23-15-6-9-17(26-2)10-7-15/h5-10,12-13,24H,3-4,11H2,1-2H3,(H,22,25)/b23-21-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His6-tagged AKR1B10 expressed in Escherichia coli by fluorescence assay in presence of NADPH				Bioorg Med Chem 21: 6378-84 (2013) Article DOI: 10.1016/j.bmc.2013.08.059 BindingDB Entry DOI: 10.7270/Q25T3MX4
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50442504 (CHEMBL2440423) Show SMILES OC(=O)c1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)Nc1ccccn1 Show InChI InChI=1S/C22H15N3O5/c26-16-9-6-14-11-17(20(27)25-19-3-1-2-10-23-19)21(30-18(14)12-16)24-15-7-4-13(5-8-15)22(28)29/h1-12,26H,(H,28,29)(H,23,25,27)/b24-21-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His6-tagged AKR1B1 expressed in Escherichia coli by fluorescence assay in presence of NADPH				Bioorg Med Chem 21: 6378-84 (2013) Article DOI: 10.1016/j.bmc.2013.08.059 BindingDB Entry DOI: 10.7270/Q25T3MX4
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50024764 (CHEMBL3337721) Show SMILES OC(=O)\C=C\c1ccc(OC(=O)CCc2ccccc2)c(OCc2cccc(O)c2)c1 Show InChI InChI=1S/C25H22O6/c26-21-8-4-7-20(15-21)17-30-23-16-19(10-13-24(27)28)9-12-22(23)31-25(29)14-11-18-5-2-1-3-6-18/h1-10,12-13,15-16,26H,11,14,17H2,(H,27,28)/b13-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of AKR1C3 (unknown origin) assessed as dehydrogenase activity of enzyme by NADPH fluorescence assay				Bioorg Med Chem 22: 5220-33 (2014) Article DOI: 10.1016/j.bmc.2014.08.007 BindingDB Entry DOI: 10.7270/Q28P623F
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50442503 (CHEMBL2440427) Show SMILES OC(=O)Cc1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)Nc1ccccn1 Show InChI InChI=1S/C23H17N3O5/c27-17-9-6-15-12-18(22(30)26-20-3-1-2-10-24-20)23(31-19(15)13-17)25-16-7-4-14(5-8-16)11-21(28)29/h1-10,12-13,27H,11H2,(H,28,29)(H,24,26,30)/b25-23-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His6-tagged AKR1B1 expressed in Escherichia coli by fluorescence assay in presence of NADPH				Bioorg Med Chem 21: 6378-84 (2013) Article DOI: 10.1016/j.bmc.2013.08.059 BindingDB Entry DOI: 10.7270/Q25T3MX4
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50442502 (CHEMBL2440415) Show SMILES COc1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)NCCO Show InChI InChI=1S/C19H18N2O5/c1-25-15-6-3-13(4-7-15)21-19-16(18(24)20-8-9-22)10-12-2-5-14(23)11-17(12)26-19/h2-7,10-11,22-23H,8-9H2,1H3,(H,20,24)/b21-19-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His6-tagged AKR1B1 expressed in Escherichia coli by fluorescence assay in presence of NADPH				Bioorg Med Chem 21: 6378-84 (2013) Article DOI: 10.1016/j.bmc.2013.08.059 BindingDB Entry DOI: 10.7270/Q25T3MX4
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50049730 (2-(5-(2-methyl-3-phenylallylidene)-4-oxo-2-thioxot...) Show SMILES C\C(\C=C1/SC(=S)N(CC(O)=O)C1=O)=C/c1ccccc1 Show InChI InChI=1S/C15H13NO3S2/c1-10(7-11-5-3-2-4-6-11)8-12-14(19)16(9-13(17)18)15(20)21-12/h2-8H,9H2,1H3,(H,17,18)/b10-7+,12-8-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal 6His-tagged human aldose reductase expressed in Escherichia coli BL21(DE3) mediated NADPH linked pyridine-3-aldehyde reducti...				Bioorg Med Chem 18: 2485-90 (2010) Article DOI: 10.1016/j.bmc.2010.02.050 BindingDB Entry DOI: 10.7270/Q2K35TTH
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50321718 (2-(2,4-dimethoxyphenylimino)-7-hydroxy-N-(pyridin-...) Show SMILES COc1ccc(\N=c2/oc3cc(O)ccc3cc2C(=O)Nc2ccccn2)c(OC)c1 Show InChI InChI=1S/C23H19N3O5/c1-29-16-8-9-18(20(13-16)30-2)25-23-17(22(28)26-21-5-3-4-10-24-21)11-14-6-7-15(27)12-19(14)31-23/h3-13,27H,1-2H3,(H,24,26,28)/b25-23-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal 6His-tagged human aldose reductase expressed in Escherichia coli BL21(DE3) mediated NADPH linked pyridine-3-aldehyde reducti...				Bioorg Med Chem 18: 2485-90 (2010) Article DOI: 10.1016/j.bmc.2010.02.050 BindingDB Entry DOI: 10.7270/Q2K35TTH
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B10 (Homo sapiens (Human))	BDBM50321715 (2-(2,5-dimethoxyphenylimino)-7-hydroxy-N-(pyridin-...) Show SMILES COc1ccc(OC)c(c1)\N=c1/oc2cc(O)ccc2cc1C(=O)Nc1ccccn1 Show InChI InChI=1S/C23H19N3O5/c1-29-16-8-9-19(30-2)18(13-16)25-23-17(22(28)26-21-5-3-4-10-24-21)11-14-6-7-15(27)12-20(14)31-23/h3-13,27H,1-2H3,(H,24,26,28)/b25-23-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of reductase activity of N-terminal 6His-tagged AKR1B10 expressed in Escherichia coli BL21(DE3) assessed as inhibition of NADPH linked pyr...				Bioorg Med Chem 18: 2485-90 (2010) Article DOI: 10.1016/j.bmc.2010.02.050 BindingDB Entry DOI: 10.7270/Q2K35TTH
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50442501 (CHEMBL2440422) Show SMILES Oc1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)Nc1ccccn1 Show InChI InChI=1S/C21H15N3O4/c25-15-8-5-14(6-9-15)23-21-17(20(27)24-19-3-1-2-10-22-19)11-13-4-7-16(26)12-18(13)28-21/h1-12,25-26H,(H,22,24,27)/b23-21-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His6-tagged AKR1B1 expressed in Escherichia coli by fluorescence assay in presence of NADPH				Bioorg Med Chem 21: 6378-84 (2013) Article DOI: 10.1016/j.bmc.2013.08.059 BindingDB Entry DOI: 10.7270/Q25T3MX4
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50442489 (CHEMBL2440417) Show SMILES COc1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)NCc1ccccc1 Show InChI InChI=1S/C24H20N2O4/c1-29-20-11-8-18(9-12-20)26-24-21(13-17-7-10-19(27)14-22(17)30-24)23(28)25-15-16-5-3-2-4-6-16/h2-14,27H,15H2,1H3,(H,25,28)/b26-24-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His6-tagged AKR1B1 expressed in Escherichia coli by fluorescence assay in presence of NADPH				Bioorg Med Chem 21: 6378-84 (2013) Article DOI: 10.1016/j.bmc.2013.08.059 BindingDB Entry DOI: 10.7270/Q25T3MX4
					More data for this Ligand-Target Pair
2-5A-dependent ribonuclease (Homo sapiens (Human))	BDBM50085556 (CHEMBL405496 | Oligoadenylate analogue) Show SMILES Cc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3OP(O)(=O)OC[C@H]3O[C@H]([C@H](OP(O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)n4cnc5c(N)ncnc45)[C@@H]3O)n3cnc4c(N)ncnc34)c2n1 Show InChI InChI=1S/C31H42N15O25P5/c1-10-42-25(34)16-28(43-10)46(9-41-16)31-22(19(49)13(67-31)4-64-75(58,59)71-76(60,61)70-72(51,52)53)69-74(56,57)63-3-12-18(48)21(30(66-12)45-8-40-15-24(33)36-6-38-27(15)45)68-73(54,55)62-2-11-17(47)20(50)29(65-11)44-7-39-14-23(32)35-5-37-26(14)44/h5-9,11-13,17-22,29-31,47-50H,2-4H2,1H3,(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H2,32,35,37)(H2,33,36,38)(H2,34,42,43)(H2,51,52,53)/t11-,12-,13-,17-,18-,19-,20-,21-,22-,29-,30-,31-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Compound was tested for its binding ability, by displacement of p(A2'p)3A3'[32p]p5'Cp from recombinant human ribonuclease L				Bioorg Med Chem Lett 10: 329-31 (2000) BindingDB Entry DOI: 10.7270/Q2TM79B4
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50038843 ((4R)-2-(4-bromo-2-fluorobenzyl)-6-fluoro-1H,2'H,5'...) Show SMILES Fc1ccc2C(=O)N(Cc3ccc(Br)cc3F)C(=O)[C@]3(CC(=O)NC3=O)c2c1 |r| Show InChI InChI=1S/C19H11BrF2N2O4/c20-10-2-1-9(14(22)5-10)8-24-16(26)12-4-3-11(21)6-13(12)19(18(24)28)7-15(25)23-17(19)27/h1-6H,7-8H2,(H,23,25,27)/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal 6His-tagged human aldose reductase expressed in Escherichia coli BL21(DE3) mediated NADPH linked pyridine-3-aldehyde reducti...				Bioorg Med Chem 18: 2485-90 (2010) Article DOI: 10.1016/j.bmc.2010.02.050 BindingDB Entry DOI: 10.7270/Q2K35TTH
					More data for this Ligand-Target Pair				3D Structure (crystal)

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