Compile Data Set for Download or QSAR

Found 160 hits with Last Name = 'morikawa' 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))	BDBM50241817 (CHEMBL4081954) Show SMILES Oc1ccc(CCCNC(=O)c2cc3ccc(O)cc3oc2=O)cc1 Show InChI InChI=1S/C19H17NO5/c21-14-6-3-12(4-7-14)2-1-9-20-18(23)16-10-13-5-8-15(22)11-17(13)25-19(16)24/h3-8,10-11,21-22H,1-2,9H2,(H,20,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.30	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 recombinant human AKR1B10 in presence of geraniol as substrate by Lineweaver-Burk plot method				J Med Chem 60: 8441-8455 (2017) Article DOI: 10.1021/acs.jmedchem.7b00830 BindingDB Entry DOI: 10.7270/Q2NZ89S7
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50272062 ((2S,5S)-1-((S)-3-mercapto-2-methylpropanoyl)-5-(3-...) Show SMILES C[C@H](CS)C(=O)N1[C@H](CC[C@H]1C(O)=O)SCCCc1ccccc1 |r| Show InChI InChI=1S/C18H25NO3S2/c1-13(12-23)17(20)19-15(18(21)22)9-10-16(19)24-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,13,15-16,23H,5,8-12H2,1H3,(H,21,22)/t13-,15+,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0290	n/a	n/a	n/a	n/a	n/a	n/a
Santen Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of ACE (unknown origin)				Bioorg Med Chem Lett 18: 4529-32 (2008) Article DOI: 10.1016/j.bmcl.2008.07.043 BindingDB Entry DOI: 10.7270/Q2PR7VSQ
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50272061 ((2S,5S)-1-((S)-3-mercapto-2-methylpropanoyl)-5-(ph...) Show SMILES C[C@H](CS)C(=O)N1[C@H](CC[C@H]1C(O)=O)SCCc1ccccc1 |r| Show InChI InChI=1S/C17H23NO3S2/c1-12(11-22)16(19)18-14(17(20)21)7-8-15(18)23-10-9-13-5-3-2-4-6-13/h2-6,12,14-15,22H,7-11H2,1H3,(H,20,21)/t12-,14+,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	n/a
Santen Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of ACE (unknown origin)				Bioorg Med Chem Lett 18: 4529-32 (2008) Article DOI: 10.1016/j.bmcl.2008.07.043 BindingDB Entry DOI: 10.7270/Q2PR7VSQ
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50272145 ((2S,5S)-1-((S)-3-Mercapto-2-methyl-propionyl)-5-(3...) Show SMILES C[C@H](CS)C(=O)N1[C@H](CC[C@H]1C(O)=O)SCc1cccc(C)c1 |r| Show InChI InChI=1S/C17H23NO3S2/c1-11-4-3-5-13(8-11)10-23-15-7-6-14(17(20)21)18(15)16(19)12(2)9-22/h3-5,8,12,14-15,22H,6-7,9-10H2,1-2H3,(H,20,21)/t12-,14+,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Santen Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of ACE (unknown origin)				Bioorg Med Chem Lett 18: 4529-32 (2008) Article DOI: 10.1016/j.bmcl.2008.07.043 BindingDB Entry DOI: 10.7270/Q2PR7VSQ
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50272199 ((2S,5S)-1-((S)-3-Mercapto-2-methyl-propionyl)-5-(2...) Show SMILES C[C@H](CS)C(=O)N1[C@H](CC[C@H]1C(O)=O)SCc1ccccc1C |r| Show InChI InChI=1S/C17H23NO3S2/c1-11-5-3-4-6-13(11)10-23-15-8-7-14(17(20)21)18(15)16(19)12(2)9-22/h3-6,12,14-15,22H,7-10H2,1-2H3,(H,20,21)/t12-,14+,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Santen Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of ACE (unknown origin)				Bioorg Med Chem Lett 18: 4529-32 (2008) Article DOI: 10.1016/j.bmcl.2008.07.043 BindingDB Entry DOI: 10.7270/Q2PR7VSQ
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50272060 ((2S,5S)-5-(benzylthio)-1-((S)-3-mercapto-2-methylp...) Show SMILES C[C@H](CS)C(=O)N1[C@H](CC[C@H]1C(O)=O)SCc1ccccc1 |r| Show InChI InChI=1S/C16H21NO3S2/c1-11(9-21)15(18)17-13(16(19)20)7-8-14(17)22-10-12-5-3-2-4-6-12/h2-6,11,13-14,21H,7-10H2,1H3,(H,19,20)/t11-,13+,14+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Santen Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of ACE (unknown origin)				Bioorg Med Chem Lett 18: 4529-32 (2008) Article DOI: 10.1016/j.bmcl.2008.07.043 BindingDB Entry DOI: 10.7270/Q2PR7VSQ
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50272099 ((2S,5S)-1-((S)-3-mercapto-2-methylpropanoyl)-5-(na...) Show SMILES C[C@H](CS)C(=O)N1[C@H](CC[C@H]1C(O)=O)SCc1cccc2ccccc12 |r| Show InChI InChI=1S/C20H23NO3S2/c1-13(11-25)19(22)21-17(20(23)24)9-10-18(21)26-12-15-7-4-6-14-5-2-3-8-16(14)15/h2-8,13,17-18,25H,9-12H2,1H3,(H,23,24)/t13-,17+,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Santen Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of ACE (unknown origin)				Bioorg Med Chem Lett 18: 4529-32 (2008) Article DOI: 10.1016/j.bmcl.2008.07.043 BindingDB Entry DOI: 10.7270/Q2PR7VSQ
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50272203 ((2S,5R)-5-(4-isopropylbenzylthio)-1-((S)-3-mercapt...) Show SMILES CC(C)c1ccc(CS[C@@H]2CC[C@H](N2C(=O)[C@H](C)CS)C(O)=O)cc1 |r| Show InChI InChI=1S/C19H27NO3S2/c1-12(2)15-6-4-14(5-7-15)11-25-17-9-8-16(19(22)23)20(17)18(21)13(3)10-24/h4-7,12-13,16-17,24H,8-11H2,1-3H3,(H,22,23)/t13-,16+,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Santen Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of ACE (unknown origin)				Bioorg Med Chem Lett 18: 4529-32 (2008) Article DOI: 10.1016/j.bmcl.2008.07.043 BindingDB Entry DOI: 10.7270/Q2PR7VSQ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B10 (Homo sapiens (Human))	BDBM50241828 (CHEMBL4089817) Show SMILES Oc1ccc2cc(C(=O)NCCCc3ccc(F)cc3)c(=O)oc2c1 Show InChI InChI=1S/C19H16FNO4/c20-14-6-3-12(4-7-14)2-1-9-21-18(23)16-10-13-5-8-15(22)11-17(13)25-19(16)24/h3-8,10-11,22H,1-2,9H2,(H,21,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human AKR1B10 using pyridine-3-aldehyde as substrate				J Med Chem 60: 8441-8455 (2017) Article DOI: 10.1021/acs.jmedchem.7b00830 BindingDB Entry DOI: 10.7270/Q2NZ89S7
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50272200 ((2S,5S)-5-(4-(methylthio)benzylthio)-1-((S)-3-merc...) Show SMILES CSc1ccc(CS[C@H]2CC[C@H](N2C(=O)[C@H](C)CS)C(O)=O)cc1 |r| Show InChI InChI=1S/C17H23NO3S3/c1-11(9-22)16(19)18-14(17(20)21)7-8-15(18)24-10-12-3-5-13(23-2)6-4-12/h3-6,11,14-15,22H,7-10H2,1-2H3,(H,20,21)/t11-,14+,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Santen Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of ACE (unknown origin)				Bioorg Med Chem Lett 18: 4529-32 (2008) Article DOI: 10.1016/j.bmcl.2008.07.043 BindingDB Entry DOI: 10.7270/Q2PR7VSQ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B10 (Homo sapiens (Human))	BDBM50241817 (CHEMBL4081954) Show SMILES Oc1ccc(CCCNC(=O)c2cc3ccc(O)cc3oc2=O)cc1 Show InChI InChI=1S/C19H17NO5/c21-14-6-3-12(4-7-14)2-1-9-20-18(23)16-10-13-5-8-15(22)11-17(13)25-19(16)24/h3-8,10-11,21-22H,1-2,9H2,(H,20,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human AKR1B10 using pyridine-3-aldehyde as substrate				J Med Chem 60: 8441-8455 (2017) Article DOI: 10.1021/acs.jmedchem.7b00830 BindingDB Entry DOI: 10.7270/Q2NZ89S7
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50272141 ((2S,5S)-1-((S)-3-mercapto-2-methylpropanoyl)-5-(na...) Show SMILES C[C@H](CS)C(=O)N1[C@H](CC[C@H]1C(O)=O)SCc1ccc2ccccc2c1 |r| Show InChI InChI=1S/C20H23NO3S2/c1-13(11-25)19(22)21-17(20(23)24)8-9-18(21)26-12-14-6-7-15-4-2-3-5-16(15)10-14/h2-7,10,13,17-18,25H,8-9,11-12H2,1H3,(H,23,24)/t13-,17+,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Santen Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of ACE (unknown origin)				Bioorg Med Chem Lett 18: 4529-32 (2008) Article DOI: 10.1016/j.bmcl.2008.07.043 BindingDB Entry DOI: 10.7270/Q2PR7VSQ
					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 AKR1B10 (unknown origin)				J Med Chem 60: 8441-8455 (2017) Article DOI: 10.1021/acs.jmedchem.7b00830 BindingDB Entry DOI: 10.7270/Q2NZ89S7
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B10 (Homo sapiens (Human))	BDBM50241818 (CHEMBL4060049) Show SMILES Oc1ccc2cc(C(=O)NCCCc3cccc(F)c3)c(=O)oc2c1 Show InChI InChI=1S/C19H16FNO4/c20-14-5-1-3-12(9-14)4-2-8-21-18(23)16-10-13-6-7-15(22)11-17(13)25-19(16)24/h1,3,5-7,9-11,22H,2,4,8H2,(H,21,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 recombinant human AKR1B10 using pyridine-3-aldehyde as substrate				J Med Chem 60: 8441-8455 (2017) Article DOI: 10.1021/acs.jmedchem.7b00830 BindingDB Entry DOI: 10.7270/Q2NZ89S7
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B10 (Homo sapiens (Human))	BDBM50241816 (CHEMBL4098452) Show SMILES Oc1ccc2cc(C(=O)NCCCc3ccccc3O)c(=O)oc2c1 Show InChI InChI=1S/C19H17NO5/c21-14-8-7-13-10-15(19(24)25-17(13)11-14)18(23)20-9-3-5-12-4-1-2-6-16(12)22/h1-2,4,6-8,10-11,21-22H,3,5,9H2,(H,20,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human AKR1B10 using pyridine-3-aldehyde as substrate				J Med Chem 60: 8441-8455 (2017) Article DOI: 10.1021/acs.jmedchem.7b00830 BindingDB Entry DOI: 10.7270/Q2NZ89S7
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B10 (Homo sapiens (Human))	BDBM50241822 (CHEMBL4062779) Show SMILES Cc1ccc(CCCNC(=O)c2cc3ccc(O)cc3oc2=O)cc1 Show InChI InChI=1S/C20H19NO4/c1-13-4-6-14(7-5-13)3-2-10-21-19(23)17-11-15-8-9-16(22)12-18(15)25-20(17)24/h4-9,11-12,22H,2-3,10H2,1H3,(H,21,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human AKR1B10 using pyridine-3-aldehyde as substrate				J Med Chem 60: 8441-8455 (2017) Article DOI: 10.1021/acs.jmedchem.7b00830 BindingDB Entry DOI: 10.7270/Q2NZ89S7
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B10 (Homo sapiens (Human))	BDBM50241826 (CHEMBL4089816) Show SMILES COc1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)NCCCc1cccc(O)c1 Show InChI InChI=1S/C26H24N2O5/c1-32-22-11-8-19(9-12-22)28-26-23(15-18-7-10-21(30)16-24(18)33-26)25(31)27-13-3-5-17-4-2-6-20(29)14-17/h2,4,6-12,14-16,29-30H,3,5,13H2,1H3,(H,27,31)/b28-26-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human AKR1B10 using pyridine-3-aldehyde as substrate				J Med Chem 60: 8441-8455 (2017) Article DOI: 10.1021/acs.jmedchem.7b00830 BindingDB Entry DOI: 10.7270/Q2NZ89S7
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B10 (Homo sapiens (Human))	BDBM50241821 (CHEMBL4068704) Show SMILES Oc1ccc2cc(C(=O)NCCCc3cc(F)cc(F)c3)c(=O)oc2c1 Show InChI InChI=1S/C19H15F2NO4/c20-13-6-11(7-14(21)9-13)2-1-5-22-18(24)16-8-12-3-4-15(23)10-17(12)26-19(16)25/h3-4,6-10,23H,1-2,5H2,(H,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human AKR1B10 using pyridine-3-aldehyde as substrate				J Med Chem 60: 8441-8455 (2017) Article DOI: 10.1021/acs.jmedchem.7b00830 BindingDB Entry DOI: 10.7270/Q2NZ89S7
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B10 (Homo sapiens (Human))	BDBM50241827 (CHEMBL4071421) Show SMILES Oc1cccc(CCCNC(=O)c2cc3ccc(O)cc3oc2=O)c1 Show InChI InChI=1S/C19H17NO5/c21-14-5-1-3-12(9-14)4-2-8-20-18(23)16-10-13-6-7-15(22)11-17(13)25-19(16)24/h1,3,5-7,9-11,21-22H,2,4,8H2,(H,20,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human AKR1B10 using pyridine-3-aldehyde as substrate				J Med Chem 60: 8441-8455 (2017) Article DOI: 10.1021/acs.jmedchem.7b00830 BindingDB Entry DOI: 10.7270/Q2NZ89S7
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50272142 ((2S,5S)-5-(4-isopropylbenzylthio)-1-((S)-3-mercapt...) Show SMILES CC(C)c1ccc(CS[C@H]2CC[C@H](N2C(=O)[C@H](C)CS)C(O)=O)cc1 |r| Show InChI InChI=1S/C19H27NO3S2/c1-12(2)15-6-4-14(5-7-15)11-25-17-9-8-16(19(22)23)20(17)18(21)13(3)10-24/h4-7,12-13,16-17,24H,8-11H2,1-3H3,(H,22,23)/t13-,16+,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
Santen Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of ACE (unknown origin)				Bioorg Med Chem Lett 18: 4529-32 (2008) Article DOI: 10.1016/j.bmcl.2008.07.043 BindingDB Entry DOI: 10.7270/Q2PR7VSQ
					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 human AKR1B1 assessed as decrease in glyceraldehyde reduction				J Med Chem 60: 8441-8455 (2017) Article DOI: 10.1021/acs.jmedchem.7b00830 BindingDB Entry DOI: 10.7270/Q2NZ89S7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B10 (Homo sapiens (Human))	BDBM50241829 (CHEMBL4071420) Show SMILES Oc1ccc(CCCCNC(=O)c2cc3ccc(O)cc3oc2=O)cc1 Show InChI InChI=1S/C20H19NO5/c22-15-7-4-13(5-8-15)3-1-2-10-21-19(24)17-11-14-6-9-16(23)12-18(14)26-20(17)25/h4-9,11-12,22-23H,1-3,10H2,(H,21,24)	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 recombinant human AKR1B10 using pyridine-3-aldehyde as substrate				J Med Chem 60: 8441-8455 (2017) Article DOI: 10.1021/acs.jmedchem.7b00830 BindingDB Entry DOI: 10.7270/Q2NZ89S7
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B10 (Homo sapiens (Human))	BDBM50241823 (CHEMBL4084456) Show SMILES COc1ccc(CCCNC(=O)c2cc3ccc(O)cc3oc2=O)cc1 Show InChI InChI=1S/C20H19NO5/c1-25-16-8-4-13(5-9-16)3-2-10-21-19(23)17-11-14-6-7-15(22)12-18(14)26-20(17)24/h4-9,11-12,22H,2-3,10H2,1H3,(H,21,23)	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 recombinant human AKR1B10 using pyridine-3-aldehyde as substrate				J Med Chem 60: 8441-8455 (2017) Article DOI: 10.1021/acs.jmedchem.7b00830 BindingDB Entry DOI: 10.7270/Q2NZ89S7
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50241826 (CHEMBL4089816) Show SMILES COc1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)NCCCc1cccc(O)c1 Show InChI InChI=1S/C26H24N2O5/c1-32-22-11-8-19(9-12-22)28-26-23(15-18-7-10-21(30)16-24(18)33-26)25(31)27-13-3-5-17-4-2-6-20(29)14-17/h2,4,6-12,14-16,29-30H,3,5,13H2,1H3,(H,27,31)/b28-26-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 recombinant human AKR1B1 using pyridine-3-aldehyde as substrate				J Med Chem 60: 8441-8455 (2017) Article DOI: 10.1021/acs.jmedchem.7b00830 BindingDB Entry DOI: 10.7270/Q2NZ89S7
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50272144 ((2S,5S)-5-(3-(4-isopropylphenyl)propylthio)-1-((S)...) Show SMILES CC(C)c1ccc(CCCS[C@H]2CC[C@H](N2C(=O)[C@H](C)CS)C(O)=O)cc1 |r| Show InChI InChI=1S/C21H31NO3S2/c1-14(2)17-8-6-16(7-9-17)5-4-12-27-19-11-10-18(21(24)25)22(19)20(23)15(3)13-26/h6-9,14-15,18-19,26H,4-5,10-13H2,1-3H3,(H,24,25)/t15-,18+,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Santen Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of ACE (unknown origin)				Bioorg Med Chem Lett 18: 4529-32 (2008) Article DOI: 10.1016/j.bmcl.2008.07.043 BindingDB Entry DOI: 10.7270/Q2PR7VSQ
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Cavia porcellus)	BDBM50266136 ((R)-3-(4-iodobenzylthio)-2-((S)-3-mercapto-2-methy...) Show SMILES C[C@H](CS)C(=O)N[C@@H](CSCc1ccc(I)cc1)C(O)=O |r| Show InChI InChI=1S/C14H18INO3S2/c1-9(6-20)13(17)16-12(14(18)19)8-21-7-10-2-4-11(15)5-3-10/h2-5,9,12,20H,6-8H2,1H3,(H,16,17)(H,18,19)/t9-,12+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	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
Santen Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of LTA4 hydrolase in guinea pig lung assessed as inhibition of LTB4 production				Bioorg Med Chem Lett 19: 442-6 (2008) Article DOI: 10.1016/j.bmcl.2008.11.042 BindingDB Entry DOI: 10.7270/Q20K28FC
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50272143 ((2S,5S)-5-(4-isopropylphenethylthio)-1-((S)-3-merc...) Show SMILES CC(C)c1ccc(CCS[C@H]2CC[C@H](N2C(=O)[C@H](C)CS)C(O)=O)cc1 |r| Show InChI InChI=1S/C20H29NO3S2/c1-13(2)16-6-4-15(5-7-16)10-11-26-18-9-8-17(20(23)24)21(18)19(22)14(3)12-25/h4-7,13-14,17-18,25H,8-12H2,1-3H3,(H,23,24)/t14-,17+,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Santen Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of ACE (unknown origin)				Bioorg Med Chem Lett 18: 4529-32 (2008) Article DOI: 10.1016/j.bmcl.2008.07.043 BindingDB Entry DOI: 10.7270/Q2PR7VSQ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B10 (Homo sapiens (Human))	BDBM50241830 (CHEMBL3318218) Show SMILES Oc1ccc(CCNC(=O)c2cc3ccc(O)cc3oc2=O)cc1 Show InChI InChI=1S/C18H15NO5/c20-13-4-1-11(2-5-13)7-8-19-17(22)15-9-12-3-6-14(21)10-16(12)24-18(15)23/h1-6,9-10,20-21H,7-8H2,(H,19,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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 recombinant human AKR1B10 using pyridine-3-aldehyde as substrate				J Med Chem 60: 8441-8455 (2017) Article DOI: 10.1021/acs.jmedchem.7b00830 BindingDB Entry DOI: 10.7270/Q2NZ89S7
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50266170 ((R)-3-(4-ethylbenzylthio)-2-((S)-3-mercapto-2-meth...) Show SMILES CCc1ccc(CSC[C@H](NC(=O)[C@H](C)CS)C(O)=O)cc1 |r| Show InChI InChI=1S/C16H23NO3S2/c1-3-12-4-6-13(7-5-12)9-22-10-14(16(19)20)17-15(18)11(2)8-21/h4-7,11,14,21H,3,8-10H2,1-2H3,(H,17,18)(H,19,20)/t11-,14+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Santen Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of angiotensin-converting enzyme (unknown origin) in whole blood by HPLC				Bioorg Med Chem Lett 19: 442-6 (2008) Article DOI: 10.1016/j.bmcl.2008.11.042 BindingDB Entry DOI: 10.7270/Q20K28FC
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM21642 ((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...) Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Santen Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of ACE (unknown origin)				Bioorg Med Chem Lett 18: 4529-32 (2008) Article DOI: 10.1016/j.bmcl.2008.07.043 BindingDB Entry DOI: 10.7270/Q2PR7VSQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
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 AKR1B1 (unknown origin)				J Med Chem 60: 8441-8455 (2017) Article DOI: 10.1021/acs.jmedchem.7b00830 BindingDB Entry DOI: 10.7270/Q2NZ89S7
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Cavia porcellus)	BDBM50266173 ((R)-3-(4-tert-butylbenzylthio)-2-((S)-3-mercapto-2...) Show SMILES C[C@H](CS)C(=O)N[C@@H](CSCc1ccc(cc1)C(C)(C)C)C(O)=O |r| Show InChI InChI=1S/C18H27NO3S2/c1-12(9-23)16(20)19-15(17(21)22)11-24-10-13-5-7-14(8-6-13)18(2,3)4/h5-8,12,15,23H,9-11H2,1-4H3,(H,19,20)(H,21,22)/t12-,15+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Santen Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of LTA4 hydrolase in guinea pig lung assessed as inhibition of LTB4 production				Bioorg Med Chem Lett 19: 442-6 (2008) Article DOI: 10.1016/j.bmcl.2008.11.042 BindingDB Entry DOI: 10.7270/Q20K28FC
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B10 (Homo sapiens (Human))	BDBM50394657 (CHEMBL270067) Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C Show InChI InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17+,18+,19-,20+,21+,23+,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human intestinal N-terminal 6-His-tagged AKR1B10 expressed in Escherichia coli BL21 (DE3) pLysS cells using pyridine-3-alde...				J Med Chem 60: 8441-8455 (2017) Article DOI: 10.1021/acs.jmedchem.7b00830 BindingDB Entry DOI: 10.7270/Q2NZ89S7
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Cavia porcellus)	BDBM50272201 ((2S,5S)-5-(4-tert-butylbenzylthio)-1-((S)-3-mercap...) Show SMILES C[C@H](CS)C(=O)N1[C@H](CC[C@H]1C(O)=O)SCc1ccc(cc1)C(C)(C)C |r| Show InChI InChI=1S/C20H29NO3S2/c1-13(11-25)18(22)21-16(19(23)24)9-10-17(21)26-12-14-5-7-15(8-6-14)20(2,3)4/h5-8,13,16-17,25H,9-12H2,1-4H3,(H,23,24)/t13-,16+,17+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Santen Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of guinea pig lung leukotriene A4 hydrolase				Bioorg Med Chem Lett 18: 4529-32 (2008) Article DOI: 10.1016/j.bmcl.2008.07.043 BindingDB Entry DOI: 10.7270/Q2PR7VSQ
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Cavia porcellus)	BDBM50272202 ((2S,5S)-5-(4-cyclohexylbenzylthio)-1-((S)-3-mercap...) Show SMILES C[C@H](CS)C(=O)N1[C@H](CC[C@H]1C(O)=O)SCc1ccc(cc1)C1CCCCC1 |r| Show InChI InChI=1S/C22H31NO3S2/c1-15(13-27)21(24)23-19(22(25)26)11-12-20(23)28-14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h7-10,15,17,19-20,27H,2-6,11-14H2,1H3,(H,25,26)/t15-,19+,20+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Santen Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of guinea pig lung leukotriene A4 hydrolase				Bioorg Med Chem Lett 18: 4529-32 (2008) Article DOI: 10.1016/j.bmcl.2008.07.043 BindingDB Entry DOI: 10.7270/Q2PR7VSQ
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50266075 ((R)-3-(benzylthio)-2-((S)-3-mercapto-2-methylpropa...) Show SMILES C[C@H](CS)C(=O)N[C@@H](CSCc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C14H19NO3S2/c1-10(7-19)13(16)15-12(14(17)18)9-20-8-11-5-3-2-4-6-11/h2-6,10,12,19H,7-9H2,1H3,(H,15,16)(H,17,18)/t10-,12+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Santen Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of angiotensin-converting enzyme (unknown origin) in whole blood by HPLC				Bioorg Med Chem Lett 19: 442-6 (2008) Article DOI: 10.1016/j.bmcl.2008.11.042 BindingDB Entry DOI: 10.7270/Q20K28FC
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Cavia porcellus)	BDBM50266244 ((R)-2-((S)-3-mercapto-2-methylpropanamido)-3-(4-(m...) Show SMILES CSc1ccc(CSC[C@H](NC(=O)[C@H](C)CS)C(O)=O)cc1 |r| Show InChI InChI=1S/C15H21NO3S3/c1-10(7-20)14(17)16-13(15(18)19)9-22-8-11-3-5-12(21-2)6-4-11/h3-6,10,13,20H,7-9H2,1-2H3,(H,16,17)(H,18,19)/t10-,13+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Santen Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of LTA4 hydrolase in guinea pig lung assessed as inhibition of LTB4 production				Bioorg Med Chem Lett 19: 442-6 (2008) Article DOI: 10.1016/j.bmcl.2008.11.042 BindingDB Entry DOI: 10.7270/Q20K28FC
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Cavia porcellus)	BDBM50272142 ((2S,5S)-5-(4-isopropylbenzylthio)-1-((S)-3-mercapt...) Show SMILES CC(C)c1ccc(CS[C@H]2CC[C@H](N2C(=O)[C@H](C)CS)C(O)=O)cc1 |r| Show InChI InChI=1S/C19H27NO3S2/c1-12(2)15-6-4-14(5-7-15)11-25-17-9-8-16(19(22)23)20(17)18(21)13(3)10-24/h4-7,12-13,16-17,24H,8-11H2,1-3H3,(H,22,23)/t13-,16+,17+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Santen Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of guinea pig lung leukotriene A4 hydrolase				Bioorg Med Chem Lett 18: 4529-32 (2008) Article DOI: 10.1016/j.bmcl.2008.07.043 BindingDB Entry DOI: 10.7270/Q2PR7VSQ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B10 (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	54	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human N-terminal His-tagged AKR1B10 expressed in Escherichia coli BL21 using retinaldehyde as substrate				J Med Chem 60: 8441-8455 (2017) Article DOI: 10.1021/acs.jmedchem.7b00830 BindingDB Entry DOI: 10.7270/Q2NZ89S7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Leukotriene A-4 hydrolase (Cavia porcellus)	BDBM50266247 ((2R)-3-(1-(4-isopropylphenyl)ethylthio)-2-((S)-3-m...) Show SMILES CC(C)c1ccc(cc1)C(C)SC[C@H](NC(=O)[C@H](C)CS)C(O)=O |r| Show InChI InChI=1S/C18H27NO3S2/c1-11(2)14-5-7-15(8-6-14)13(4)24-10-16(18(21)22)19-17(20)12(3)9-23/h5-8,11-13,16,23H,9-10H2,1-4H3,(H,19,20)(H,21,22)/t12-,13?,16+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Santen Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of LTA4 hydrolase in guinea pig lung assessed as inhibition of LTB4 production				Bioorg Med Chem Lett 19: 442-6 (2008) Article DOI: 10.1016/j.bmcl.2008.11.042 BindingDB Entry DOI: 10.7270/Q20K28FC
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Cavia porcellus)	BDBM50266316 ((R)-3-(2-(4-cyclohexylphenyl)propan-2-ylthio)-2-((...) Show SMILES C[C@H](CS)C(=O)N[C@@H](CSC(C)(C)c1ccc(cc1)C1CCCCC1)C(O)=O |r| Show InChI InChI=1S/C22H33NO3S2/c1-15(13-27)20(24)23-19(21(25)26)14-28-22(2,3)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h9-12,15-16,19,27H,4-8,13-14H2,1-3H3,(H,23,24)(H,25,26)/t15-,19+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Santen Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of LTA4 hydrolase in guinea pig lung assessed as inhibition of LTB4 production				Bioorg Med Chem Lett 19: 442-6 (2008) Article DOI: 10.1016/j.bmcl.2008.11.042 BindingDB Entry DOI: 10.7270/Q20K28FC
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B10 (Homo sapiens (Human))	BDBM50059989 ((1E,4Z,6E)-5-Hydroxy-1,7-bis-(4-hydroxy-phenyl)-he...) Show SMILES Oc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(O)cc2)cc1 |w:12.11,5.4| Show InChI InChI=1S/C19H16O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-12,20-21H,13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of AKR1B10 (unknown origin)				J Med Chem 60: 8441-8455 (2017) Article DOI: 10.1021/acs.jmedchem.7b00830 BindingDB Entry DOI: 10.7270/Q2NZ89S7
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Cavia porcellus)	BDBM50266248 ((2R)-3-(1-(4-isopropylphenyl)propylthio)-2-((S)-3-...) Show SMILES CCC(SC[C@H](NC(=O)[C@H](C)CS)C(O)=O)c1ccc(cc1)C(C)C |r| Show InChI InChI=1S/C19H29NO3S2/c1-5-17(15-8-6-14(7-9-15)12(2)3)25-11-16(19(22)23)20-18(21)13(4)10-24/h6-9,12-13,16-17,24H,5,10-11H2,1-4H3,(H,20,21)(H,22,23)/t13-,16+,17?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Santen Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of LTA4 hydrolase in guinea pig lung assessed as inhibition of LTB4 production				Bioorg Med Chem Lett 19: 442-6 (2008) Article DOI: 10.1016/j.bmcl.2008.11.042 BindingDB Entry DOI: 10.7270/Q20K28FC
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Cavia porcellus)	BDBM50266171 ((R)-2-((S)-3-mercapto-2-methylpropanamido)-3-(4-pr...) Show SMILES CCCc1ccc(CSC[C@H](NC(=O)[C@H](C)CS)C(O)=O)cc1 |r| Show InChI InChI=1S/C17H25NO3S2/c1-3-4-13-5-7-14(8-6-13)10-23-11-15(17(20)21)18-16(19)12(2)9-22/h5-8,12,15,22H,3-4,9-11H2,1-2H3,(H,18,19)(H,20,21)/t12-,15+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Santen Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of LTA4 hydrolase in guinea pig lung assessed as inhibition of LTB4 production				Bioorg Med Chem Lett 19: 442-6 (2008) Article DOI: 10.1016/j.bmcl.2008.11.042 BindingDB Entry DOI: 10.7270/Q20K28FC
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Cavia porcellus)	BDBM50266175 ((R)-3-(4-cyclohexylbenzylthio)-2-((S)-3-mercapto-2...) Show SMILES C[C@H](CS)C(=O)N[C@@H](CSCc1ccc(cc1)C1CCCCC1)C(O)=O |r| Show InChI InChI=1S/C20H29NO3S2/c1-14(11-25)19(22)21-18(20(23)24)13-26-12-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h7-10,14,16,18,25H,2-6,11-13H2,1H3,(H,21,22)(H,23,24)/t14-,18+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Santen Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of LTA4 hydrolase in guinea pig lung assessed as inhibition of LTB4 production				Bioorg Med Chem Lett 19: 442-6 (2008) Article DOI: 10.1016/j.bmcl.2008.11.042 BindingDB Entry DOI: 10.7270/Q20K28FC
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Cavia porcellus)	BDBM50266280 ((R)-3-(2-(4-isopropylphenyl)propan-2-ylthio)-2-((S...) Show SMILES CC(C)c1ccc(cc1)C(C)(C)SC[C@H](NC(=O)[C@H](C)CS)C(O)=O |r| Show InChI InChI=1S/C19H29NO3S2/c1-12(2)14-6-8-15(9-7-14)19(4,5)25-11-16(18(22)23)20-17(21)13(3)10-24/h6-9,12-13,16,24H,10-11H2,1-5H3,(H,20,21)(H,22,23)/t13-,16+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Santen Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of LTA4 hydrolase in guinea pig lung assessed as inhibition of LTB4 production				Bioorg Med Chem Lett 19: 442-6 (2008) Article DOI: 10.1016/j.bmcl.2008.11.042 BindingDB Entry DOI: 10.7270/Q20K28FC
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B10 (Homo sapiens (Human))	BDBM200221 (2-(5-chloro-2-(((perbromophenyl)methyl)carbamoyl)p...) Show SMILES OC(=O)COc1cc(Cl)ccc1C(=O)NCc1c(Br)c(Br)c(Br)c(Br)c1Br Show InChI InChI=1S/C16H9Br5ClNO4/c17-11-8(12(18)14(20)15(21)13(11)19)4-23-16(26)7-2-1-6(22)3-9(7)27-5-10(24)25/h1-3H,4-5H2,(H,23,26)(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human AKR1B10 expressed in Escherichia coli BL21(DE3) using pyridine-3-aldehyde as substrate measured for 3 mins by UV-vis spectrophoto...				J Med Chem 60: 8441-8455 (2017) Article DOI: 10.1021/acs.jmedchem.7b00830 BindingDB Entry DOI: 10.7270/Q2NZ89S7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Leukotriene A-4 hydrolase (Cavia porcellus)	BDBM50266279 ((2R)-3-((4-isopropylphenyl)(phenyl)methylthio)-2-(...) Show SMILES CC(C)c1ccc(cc1)C(SC[C@H](NC(=O)[C@H](C)CS)C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C23H29NO3S2/c1-15(2)17-9-11-19(12-10-17)21(18-7-5-4-6-8-18)29-14-20(23(26)27)24-22(25)16(3)13-28/h4-12,15-16,20-21,28H,13-14H2,1-3H3,(H,24,25)(H,26,27)/t16-,20+,21?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
Santen Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of LTA4 hydrolase in guinea pig lung assessed as inhibition of LTB4 production				Bioorg Med Chem Lett 19: 442-6 (2008) Article DOI: 10.1016/j.bmcl.2008.11.042 BindingDB Entry DOI: 10.7270/Q20K28FC
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50241830 (CHEMBL3318218) Show SMILES Oc1ccc(CCNC(=O)c2cc3ccc(O)cc3oc2=O)cc1 Show InChI InChI=1S/C18H15NO5/c20-13-4-1-11(2-5-13)7-8-19-17(22)15-9-12-3-6-14(21)10-16(12)24-18(15)23/h1-6,9-10,20-21H,7-8H2,(H,19,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human AKR1B1 using pyridine-3-aldehyde as substrate				J Med Chem 60: 8441-8455 (2017) Article DOI: 10.1021/acs.jmedchem.7b00830 BindingDB Entry DOI: 10.7270/Q2NZ89S7
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50266133 ((R)-3-(4-fluorobenzylthio)-2-((S)-3-mercapto-2-met...) Show SMILES C[C@H](CS)C(=O)N[C@@H](CSCc1ccc(F)cc1)C(O)=O |r| Show InChI InChI=1S/C14H18FNO3S2/c1-9(6-20)13(17)16-12(14(18)19)8-21-7-10-2-4-11(15)5-3-10/h2-5,9,12,20H,6-8H2,1H3,(H,16,17)(H,18,19)/t9-,12+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Santen Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of angiotensin-converting enzyme (unknown origin) in whole blood by HPLC				Bioorg Med Chem Lett 19: 442-6 (2008) Article DOI: 10.1016/j.bmcl.2008.11.042 BindingDB Entry DOI: 10.7270/Q20K28FC
					More data for this Ligand-Target Pair

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