Compile Data Set for Download or QSAR

Found 70 hits with Last Name = 'kuromiya' and Initial = 'a'   

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
Neutrophil elastase (Homo sapiens (Human))	BDBM35275 (tripeptide-based inhibitor, 14r) Show SMILES COC(=O)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)Cn1ccc(=O)n(CC(O)=O)c1=O)C(C)C)C(C)C |r| Show InChI InChI=1S/C25H35N5O10/c1-13(2)19(21(35)24(38)40-5)27-22(36)15-7-6-9-29(15)23(37)20(14(3)4)26-16(31)11-28-10-8-17(32)30(25(28)39)12-18(33)34/h8,10,13-15,19-20H,6-7,9,11-12H2,1-5H3,(H,26,31)(H,27,36)(H,33,34)/t15-,19-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	7.5	37
Dainippon Sumitomo Pharma Co					Assay Description To evaluate inhibitory effect of test compound, HNE was preincubated with each compound in the assay solution at 37 deg C for 4 min. The reaction was...				Bioorg Med Chem 17: 7477-86 (2009) Article DOI: 10.1016/j.bmc.2009.09.020 BindingDB Entry DOI: 10.7270/Q22Z13W5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM35276 (tripeptide-based inhibitor, 14s) Show SMILES COC(=O)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CN1CCN(CC(O)=O)C(=O)C1=O)C(C)C)C(C)C |r| Show InChI InChI=1S/C25H37N5O10/c1-13(2)18(20(34)25(39)40-5)27-21(35)15-7-6-8-30(15)22(36)19(14(3)4)26-16(31)11-28-9-10-29(12-17(32)33)24(38)23(28)37/h13-15,18-19H,6-12H2,1-5H3,(H,26,31)(H,27,35)(H,32,33)/t15-,18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	7.5	37
Dainippon Sumitomo Pharma Co					Assay Description To evaluate inhibitory effect of test compound, HNE was preincubated with each compound in the assay solution at 37 deg C for 4 min. The reaction was...				Bioorg Med Chem 17: 7477-86 (2009) Article DOI: 10.1016/j.bmc.2009.09.020 BindingDB Entry DOI: 10.7270/Q22Z13W5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM35257 (tripeptide-based inhibitor, 14a) Show SMILES CC(C)[C@H](NC(=O)COc1ccc(OCC(O)=O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C32H38N4O9/c1-18(2)27(29(40)31-33-22-8-5-6-10-24(22)45-31)35-30(41)23-9-7-15-36(23)32(42)28(19(3)4)34-25(37)16-43-20-11-13-21(14-12-20)44-17-26(38)39/h5-6,8,10-14,18-19,23,27-28H,7,9,15-17H2,1-4H3,(H,34,37)(H,35,41)(H,38,39)/t23-,27-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	7.5	37
Dainippon Sumitomo Pharma Co					Assay Description To evaluate inhibitory effect of test compound, HNE was preincubated with each compound in the assay solution at 37 deg C for 4 min. The reaction was...				Bioorg Med Chem 17: 7477-86 (2009) Article DOI: 10.1016/j.bmc.2009.09.020 BindingDB Entry DOI: 10.7270/Q22Z13W5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM35261 (tripeptide-based inhibitor, 14d) Show SMILES CC(C)[C@H](NC(=O)Cn1cc(C)c(=O)n(CC(O)=O)c1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C31H38N6O9/c1-16(2)24(26(41)28-32-19-9-6-7-11-21(19)46-28)34-27(42)20-10-8-12-36(20)30(44)25(17(3)4)33-22(38)14-35-13-18(5)29(43)37(31(35)45)15-23(39)40/h6-7,9,11,13,16-17,20,24-25H,8,10,12,14-15H2,1-5H3,(H,33,38)(H,34,42)(H,39,40)/t20-,24-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	7.5	37
Dainippon Sumitomo Pharma Co					Assay Description To evaluate inhibitory effect of test compound, HNE was preincubated with each compound in the assay solution at 37 deg C for 4 min. The reaction was...				Bioorg Med Chem 17: 7477-86 (2009) Article DOI: 10.1016/j.bmc.2009.09.020 BindingDB Entry DOI: 10.7270/Q22Z13W5
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50067407 ((3R)-2'-(4-bromo-2-fluorobenzyl)-1'H,2H,5H-spiro[p...) Show SMILES Fc1cc(Br)ccc1CN1C(=O)c2cccn2[C@@]2(CC(=O)NC2=O)C1=O Show InChI InChI=1S/C17H11BrFN3O4/c18-10-4-3-9(11(19)6-10)8-21-14(24)12-2-1-5-22(12)17(16(21)26)7-13(23)20-15(17)25/h1-6H,7-8H2,(H,20,23,25)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase in porcine lens.				J Med Chem 41: 4118-29 (1998) Article DOI: 10.1021/jm9802968 BindingDB Entry DOI: 10.7270/Q20V8BXH
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase in porcine lens.				J Med Chem 41: 4118-29 (1998) Article DOI: 10.1021/jm9802968 BindingDB Entry DOI: 10.7270/Q20V8BXH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neutrophil elastase (Homo sapiens (Human))	BDBM35269 (tripeptide-based inhibitor, 14l) Show SMILES CC(C)[C@H](NC(=O)CN1CCN(CC(O)=O)C1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C29H38N6O8/c1-16(2)23(25(39)27-30-18-8-5-6-10-20(18)43-27)32-26(40)19-9-7-11-35(19)28(41)24(17(3)4)31-21(36)14-33-12-13-34(29(33)42)15-22(37)38/h5-6,8,10,16-17,19,23-24H,7,9,11-15H2,1-4H3,(H,31,36)(H,32,40)(H,37,38)/t19-,23-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	7.5	37
Dainippon Sumitomo Pharma Co					Assay Description To evaluate inhibitory effect of test compound, HNE was preincubated with each compound in the assay solution at 37 deg C for 4 min. The reaction was...				Bioorg Med Chem 17: 7477-86 (2009) Article DOI: 10.1016/j.bmc.2009.09.020 BindingDB Entry DOI: 10.7270/Q22Z13W5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM35274 (tripeptide-based inhibitor, 14q) Show SMILES CC(C)[C@H](NC(=O)CN1CCN(CC(O)=O)C(=O)C1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C31H42N6O9/c1-18(2)24(26(41)28(43)32-15-20-9-6-5-7-10-20)34-27(42)21-11-8-12-37(21)29(44)25(19(3)4)33-22(38)16-35-13-14-36(17-23(39)40)31(46)30(35)45/h5-7,9-10,18-19,21,24-25H,8,11-17H2,1-4H3,(H,32,43)(H,33,38)(H,34,42)(H,39,40)/t21-,24-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	7.5	37
Dainippon Sumitomo Pharma Co					Assay Description To evaluate inhibitory effect of test compound, HNE was preincubated with each compound in the assay solution at 37 deg C for 4 min. The reaction was...				Bioorg Med Chem 17: 7477-86 (2009) Article DOI: 10.1016/j.bmc.2009.09.020 BindingDB Entry DOI: 10.7270/Q22Z13W5
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50009777 ((ponalrestat)[3-(4-Bromo-2-fluoro-benzyl)-4-oxo-3,...) Show SMILES OC(=O)Cc1nn(Cc2ccc(Br)cc2F)c(=O)c2ccccc12 Show InChI InChI=1S/C17H12BrFN2O3/c18-11-6-5-10(14(19)7-11)9-21-17(24)13-4-2-1-3-12(13)15(20-21)8-16(22)23/h1-7H,8-9H2,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Dainippon Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase in porcine lens.				J Med Chem 41: 4118-29 (1998) Article DOI: 10.1021/jm9802968 BindingDB Entry DOI: 10.7270/Q20V8BXH
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM35273 (tripeptide-based inhibitor, 14p) Show SMILES CC(C)[C@H](NC(=O)Cn1ccc(=O)n(CC(O)=O)c1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C31H40N6O9/c1-18(2)25(27(42)29(44)32-15-20-9-6-5-7-10-20)34-28(43)21-11-8-13-36(21)30(45)26(19(3)4)33-22(38)16-35-14-12-23(39)37(31(35)46)17-24(40)41/h5-7,9-10,12,14,18-19,21,25-26H,8,11,13,15-17H2,1-4H3,(H,32,44)(H,33,38)(H,34,43)(H,40,41)/t21-,25-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	7.5	37
Dainippon Sumitomo Pharma Co					Assay Description To evaluate inhibitory effect of test compound, HNE was preincubated with each compound in the assay solution at 37 deg C for 4 min. The reaction was...				Bioorg Med Chem 17: 7477-86 (2009) Article DOI: 10.1016/j.bmc.2009.09.020 BindingDB Entry DOI: 10.7270/Q22Z13W5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM35268 (tripeptide-based inhibitor, 14k) Show SMILES CC(C)[C@H](NC(=O)CN1C(=O)N(CC(O)=O)C(C)(C)C1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C31H40N6O9/c1-16(2)23(25(41)27-32-18-10-7-8-12-20(18)46-27)34-26(42)19-11-9-13-35(19)28(43)24(17(3)4)33-21(38)14-36-29(44)31(5,6)37(30(36)45)15-22(39)40/h7-8,10,12,16-17,19,23-24H,9,11,13-15H2,1-6H3,(H,33,38)(H,34,42)(H,39,40)/t19-,23-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	7.5	37
Dainippon Sumitomo Pharma Co					Assay Description To evaluate inhibitory effect of test compound, HNE was preincubated with each compound in the assay solution at 37 deg C for 4 min. The reaction was...				Bioorg Med Chem 17: 7477-86 (2009) Article DOI: 10.1016/j.bmc.2009.09.020 BindingDB Entry DOI: 10.7270/Q22Z13W5
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50067390 (2'-(3,4-dichlorobenzyl)spiro[tetrahydro-1H-pyrrole...) Show SMILES Clc1ccc(CN2C(=O)c3cccn3C3(CC(=O)NC3=O)C2=O)cc1Cl Show InChI InChI=1S/C17H11Cl2N3O4/c18-10-4-3-9(6-11(10)19)8-21-14(24)12-2-1-5-22(12)17(16(21)26)7-13(23)20-15(17)25/h1-6H,7-8H2,(H,20,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase in porcine lens.				J Med Chem 41: 4118-29 (1998) Article DOI: 10.1021/jm9802968 BindingDB Entry DOI: 10.7270/Q20V8BXH
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM35259 (tripeptide-based inhibitor, 14b) Show SMILES CC(C)[C@H](NC(=O)Cn1ccc(=O)n(CC(O)=O)c1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C30H36N6O9/c1-16(2)24(26(41)28-31-18-8-5-6-10-20(18)45-28)33-27(42)19-9-7-12-35(19)29(43)25(17(3)4)32-21(37)14-34-13-11-22(38)36(30(34)44)15-23(39)40/h5-6,8,10-11,13,16-17,19,24-25H,7,9,12,14-15H2,1-4H3,(H,32,37)(H,33,42)(H,39,40)/t19-,24-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	7.5	37
Dainippon Sumitomo Pharma Co					Assay Description To evaluate inhibitory effect of test compound, HNE was preincubated with each compound in the assay solution at 37 deg C for 4 min. The reaction was...				Bioorg Med Chem 17: 7477-86 (2009) Article DOI: 10.1016/j.bmc.2009.09.020 BindingDB Entry DOI: 10.7270/Q22Z13W5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM35263 (tripeptide-based inhibitor, 14f) Show SMILES CC(C)[C@H](NC(=O)Cn1nc(C)c(=O)n(CC(O)=O)c1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C30H37N7O9/c1-15(2)23(25(41)27-31-18-9-6-7-11-20(18)46-27)33-26(42)19-10-8-12-35(19)29(44)24(16(3)4)32-21(38)13-37-30(45)36(14-22(39)40)28(43)17(5)34-37/h6-7,9,11,15-16,19,23-24H,8,10,12-14H2,1-5H3,(H,32,38)(H,33,42)(H,39,40)/t19-,23-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	7.5	37
Dainippon Sumitomo Pharma Co					Assay Description To evaluate inhibitory effect of test compound, HNE was preincubated with each compound in the assay solution at 37 deg C for 4 min. The reaction was...				Bioorg Med Chem 17: 7477-86 (2009) Article DOI: 10.1016/j.bmc.2009.09.020 BindingDB Entry DOI: 10.7270/Q22Z13W5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM35260 (tripeptide-based inhibitor, 14c) Show SMILES CC(C)[C@H](NC(=O)Cn1c(=O)ccn(CC(O)=O)c1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C30H36N6O9/c1-16(2)24(26(41)28-31-18-8-5-6-10-20(18)45-28)33-27(42)19-9-7-12-35(19)29(43)25(17(3)4)32-21(37)14-36-22(38)11-13-34(30(36)44)15-23(39)40/h5-6,8,10-11,13,16-17,19,24-25H,7,9,12,14-15H2,1-4H3,(H,32,37)(H,33,42)(H,39,40)/t19-,24-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	7.5	37
Dainippon Sumitomo Pharma Co					Assay Description To evaluate inhibitory effect of test compound, HNE was preincubated with each compound in the assay solution at 37 deg C for 4 min. The reaction was...				Bioorg Med Chem 17: 7477-86 (2009) Article DOI: 10.1016/j.bmc.2009.09.020 BindingDB Entry DOI: 10.7270/Q22Z13W5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM35277 (tripeptide-based inhibitor, 14t) Show SMILES CC(C)[C@H](NC(=O)Cn1ccc(=O)n(CC(O)=O)c1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F |r| Show InChI InChI=1S/C24H32F3N5O8/c1-12(2)18(20(37)24(25,26)27)29-21(38)14-6-5-8-31(14)22(39)19(13(3)4)28-15(33)10-30-9-7-16(34)32(23(30)40)11-17(35)36/h7,9,12-14,18-19H,5-6,8,10-11H2,1-4H3,(H,28,33)(H,29,38)(H,35,36)/t14-,18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	7.5	37
Dainippon Sumitomo Pharma Co					Assay Description To evaluate inhibitory effect of test compound, HNE was preincubated with each compound in the assay solution at 37 deg C for 4 min. The reaction was...				Bioorg Med Chem 17: 7477-86 (2009) Article DOI: 10.1016/j.bmc.2009.09.020 BindingDB Entry DOI: 10.7270/Q22Z13W5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM35279 (AE-3763 | tripeptide-based inhibitor, 14v) Show SMILES CC(C)[C@H](NC(=O)CN1CCN(CC(O)=O)C1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F |r| Show InChI InChI=1S/C23H34F3N5O7/c1-12(2)17(19(35)23(24,25)26)28-20(36)14-6-5-7-31(14)21(37)18(13(3)4)27-15(32)10-29-8-9-30(22(29)38)11-16(33)34/h12-14,17-18H,5-11H2,1-4H3,(H,27,32)(H,28,36)(H,33,34)/t14-,17-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	7.5	37
Dainippon Sumitomo Pharma Co					Assay Description To evaluate inhibitory effect of test compound, HNE was preincubated with each compound in the assay solution at 37 deg C for 4 min. The reaction was...				Bioorg Med Chem 17: 7477-86 (2009) Article DOI: 10.1016/j.bmc.2009.09.020 BindingDB Entry DOI: 10.7270/Q22Z13W5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM35271 (tripeptide-based inhibitor, 14n) Show SMILES CC(C)[C@H](NC(=O)CN1CCN(CC(O)=O)C(=O)C1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C30H38N6O9/c1-16(2)23(25(40)27-31-18-8-5-6-10-20(18)45-27)33-26(41)19-9-7-11-36(19)28(42)24(17(3)4)32-21(37)14-34-12-13-35(15-22(38)39)30(44)29(34)43/h5-6,8,10,16-17,19,23-24H,7,9,11-15H2,1-4H3,(H,32,37)(H,33,41)(H,38,39)/t19-,23-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	7.5	37
Dainippon Sumitomo Pharma Co					Assay Description To evaluate inhibitory effect of test compound, HNE was preincubated with each compound in the assay solution at 37 deg C for 4 min. The reaction was...				Bioorg Med Chem 17: 7477-86 (2009) Article DOI: 10.1016/j.bmc.2009.09.020 BindingDB Entry DOI: 10.7270/Q22Z13W5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM35262 (tripeptide-based inhibitor, 14e) Show SMILES CC(C)[C@H](NC(=O)CN1C(=O)CCN(CC(O)=O)C1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C30H38N6O9/c1-16(2)24(26(41)28-31-18-8-5-6-10-20(18)45-28)33-27(42)19-9-7-12-35(19)29(43)25(17(3)4)32-21(37)14-36-22(38)11-13-34(30(36)44)15-23(39)40/h5-6,8,10,16-17,19,24-25H,7,9,11-15H2,1-4H3,(H,32,37)(H,33,42)(H,39,40)/t19-,24-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	7.5	37
Dainippon Sumitomo Pharma Co					Assay Description To evaluate inhibitory effect of test compound, HNE was preincubated with each compound in the assay solution at 37 deg C for 4 min. The reaction was...				Bioorg Med Chem 17: 7477-86 (2009) Article DOI: 10.1016/j.bmc.2009.09.020 BindingDB Entry DOI: 10.7270/Q22Z13W5
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50067401 (2'-(4-bromo-2-fluorobenzyl)-6'-chlorospiro[tetrahy...) Show SMILES Fc1cc(Br)ccc1CN1C(=O)c2ccc(Cl)n2C2(CC(=O)NC2=O)C1=O Show InChI InChI=1S/C17H10BrClFN3O4/c18-9-2-1-8(10(20)5-9)7-22-14(25)11-3-4-12(19)23(11)17(16(22)27)6-13(24)21-15(17)26/h1-5H,6-7H2,(H,21,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase in porcine lens.				J Med Chem 41: 4118-29 (1998) Article DOI: 10.1021/jm9802968 BindingDB Entry DOI: 10.7270/Q20V8BXH
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM35266 (tripeptide-based inhibitor, 14i) Show SMILES CC(C)[C@H](NC(=O)Cn1c(O)cn(CC(O)=O)c1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C29H36N6O9/c1-15(2)23(25(40)27-30-17-8-5-6-10-19(17)44-27)32-26(41)18-9-7-11-34(18)28(42)24(16(3)4)31-20(36)12-35-21(37)13-33(29(35)43)14-22(38)39/h5-6,8,10,13,15-16,18,23-24,37H,7,9,11-12,14H2,1-4H3,(H,31,36)(H,32,41)(H,38,39)/t18-,23-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	7.5	37
Dainippon Sumitomo Pharma Co					Assay Description To evaluate inhibitory effect of test compound, HNE was preincubated with each compound in the assay solution at 37 deg C for 4 min. The reaction was...				Bioorg Med Chem 17: 7477-86 (2009) Article DOI: 10.1016/j.bmc.2009.09.020 BindingDB Entry DOI: 10.7270/Q22Z13W5
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50067379 (2'-(3-chlorobenzyl)spiro[tetrahydro-1H-pyrrole-3,4...) Show SMILES Clc1cccc(CN2C(=O)c3cccn3C3(CC(=O)NC3=O)C2=O)c1 Show InChI InChI=1S/C17H12ClN3O4/c18-11-4-1-3-10(7-11)9-20-14(23)12-5-2-6-21(12)17(16(20)25)8-13(22)19-15(17)24/h1-7H,8-9H2,(H,19,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase in porcine lens.				J Med Chem 41: 4118-29 (1998) Article DOI: 10.1021/jm9802968 BindingDB Entry DOI: 10.7270/Q20V8BXH
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50067391 (2'-(2-chlorobenzyl)spiro[tetrahydro-1H-pyrrole-3,4...) Show SMILES Clc1ccccc1CN1C(=O)c2cccn2C2(CC(=O)NC2=O)C1=O Show InChI InChI=1S/C17H12ClN3O4/c18-11-5-2-1-4-10(11)9-20-14(23)12-6-3-7-21(12)17(16(20)25)8-13(22)19-15(17)24/h1-7H,8-9H2,(H,19,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase in porcine lens.				J Med Chem 41: 4118-29 (1998) Article DOI: 10.1021/jm9802968 BindingDB Entry DOI: 10.7270/Q20V8BXH
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50067409 (2'-(3-bromobenzyl)spiro[tetrahydro-1H-pyrrole-3,4'...) Show SMILES Brc1cccc(CN2C(=O)c3cccn3C3(CC(=O)NC3=O)C2=O)c1 Show InChI InChI=1S/C17H12BrN3O4/c18-11-4-1-3-10(7-11)9-20-14(23)12-5-2-6-21(12)17(16(20)25)8-13(22)19-15(17)24/h1-7H,8-9H2,(H,19,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase in porcine lens.				J Med Chem 41: 4118-29 (1998) Article DOI: 10.1021/jm9802968 BindingDB Entry DOI: 10.7270/Q20V8BXH
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50067396 (2'-(4-chlorobenzyl)spiro[tetrahydro-1H-pyrrole-3,4...) Show SMILES Clc1ccc(CN2C(=O)c3cccn3C3(CC(=O)NC3=O)C2=O)cc1 Show InChI InChI=1S/C17H12ClN3O4/c18-11-5-3-10(4-6-11)9-20-14(23)12-2-1-7-21(12)17(16(20)25)8-13(22)19-15(17)24/h1-7H,8-9H2,(H,19,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase in porcine lens.				J Med Chem 41: 4118-29 (1998) Article DOI: 10.1021/jm9802968 BindingDB Entry DOI: 10.7270/Q20V8BXH
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50067400 (6'-bromo-2'-(4-bromo-2-fluorobenzyl)spiro[tetrahyd...) Show SMILES Fc1cc(Br)ccc1CN1C(=O)c2ccc(Br)n2C2(CC(=O)NC2=O)C1=O Show InChI InChI=1S/C17H10Br2FN3O4/c18-9-2-1-8(10(20)5-9)7-22-14(25)11-3-4-12(19)23(11)17(16(22)27)6-13(24)21-15(17)26/h1-5H,6-7H2,(H,21,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase in porcine lens.				J Med Chem 41: 4118-29 (1998) Article DOI: 10.1021/jm9802968 BindingDB Entry DOI: 10.7270/Q20V8BXH
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50067375 (2'-(4-chloro-2-fluorobenzyl)spiro[tetrahydro-1H-py...) Show SMILES Fc1cc(Cl)ccc1CN1C(=O)c2cccn2C2(CC(=O)NC2=O)C1=O Show InChI InChI=1S/C17H11ClFN3O4/c18-10-4-3-9(11(19)6-10)8-21-14(24)12-2-1-5-22(12)17(16(21)26)7-13(23)20-15(17)25/h1-6H,7-8H2,(H,20,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase in porcine lens.				J Med Chem 41: 4118-29 (1998) Article DOI: 10.1021/jm9802968 BindingDB Entry DOI: 10.7270/Q20V8BXH
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM35265 (tripeptide-based inhibitor, 14h) Show SMILES CC(C)[C@H](NC(=O)Cn1cc(O)n(CC(O)=O)c1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C29H36N6O9/c1-15(2)23(25(40)27-30-17-8-5-6-10-19(17)44-27)32-26(41)18-9-7-11-34(18)28(42)24(16(3)4)31-20(36)12-33-13-21(37)35(29(33)43)14-22(38)39/h5-6,8,10,13,15-16,18,23-24,37H,7,9,11-12,14H2,1-4H3,(H,31,36)(H,32,41)(H,38,39)/t18-,23-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	7.5	37
Dainippon Sumitomo Pharma Co					Assay Description To evaluate inhibitory effect of test compound, HNE was preincubated with each compound in the assay solution at 37 deg C for 4 min. The reaction was...				Bioorg Med Chem 17: 7477-86 (2009) Article DOI: 10.1016/j.bmc.2009.09.020 BindingDB Entry DOI: 10.7270/Q22Z13W5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM35264 (tripeptide-based inhibitor, 14g) Show SMILES CC(C)[C@H](NC(=O)Cn1ncc(=O)n(CC(O)=O)c1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C29H35N7O9/c1-15(2)23(25(41)27-31-17-8-5-6-10-19(17)45-27)33-26(42)18-9-7-11-34(18)28(43)24(16(3)4)32-20(37)13-36-29(44)35(14-22(39)40)21(38)12-30-36/h5-6,8,10,12,15-16,18,23-24H,7,9,11,13-14H2,1-4H3,(H,32,37)(H,33,42)(H,39,40)/t18-,23-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	7.5	37
Dainippon Sumitomo Pharma Co					Assay Description To evaluate inhibitory effect of test compound, HNE was preincubated with each compound in the assay solution at 37 deg C for 4 min. The reaction was...				Bioorg Med Chem 17: 7477-86 (2009) Article DOI: 10.1016/j.bmc.2009.09.020 BindingDB Entry DOI: 10.7270/Q22Z13W5
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50067376 (2'-(4-bromo-2-fluorobenzyl)spiro[tetrahydro-1H-pyr...) Show SMILES Fc1cc(Br)ccc1CN1C(=O)c2cccn2C2(CC(=O)NC2=O)C1=O Show InChI InChI=1S/C17H11BrFN3O4/c18-10-4-3-9(11(19)6-10)8-21-14(24)12-2-1-5-22(12)17(16(21)26)7-13(23)20-15(17)25/h1-6H,7-8H2,(H,20,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase in porcine lens.				J Med Chem 41: 4118-29 (1998) Article DOI: 10.1021/jm9802968 BindingDB Entry DOI: 10.7270/Q20V8BXH
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50067382 (2'-(4-methoxybenzyl)spiro[tetrahydro-1H-pyrrole-3,...) Show SMILES COc1ccc(CN2C(=O)c3cccn3C3(CC(=O)NC3=O)C2=O)cc1 Show InChI InChI=1S/C18H15N3O5/c1-26-12-6-4-11(5-7-12)10-20-15(23)13-3-2-8-21(13)18(17(20)25)9-14(22)19-16(18)24/h2-8H,9-10H2,1H3,(H,19,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase in porcine lens.				J Med Chem 41: 4118-29 (1998) Article DOI: 10.1021/jm9802968 BindingDB Entry DOI: 10.7270/Q20V8BXH
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50067399 (2'-(4-bromobenzyl)spiro[tetrahydro-1H-pyrrole-3,4'...) Show SMILES Brc1ccc(CN2C(=O)c3cccn3C3(CC(=O)NC3=O)C2=O)cc1 Show InChI InChI=1S/C17H12BrN3O4/c18-11-5-3-10(4-6-11)9-20-14(23)12-2-1-7-21(12)17(16(20)25)8-13(22)19-15(17)24/h1-7H,8-9H2,(H,19,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase in porcine lens.				J Med Chem 41: 4118-29 (1998) Article DOI: 10.1021/jm9802968 BindingDB Entry DOI: 10.7270/Q20V8BXH
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM35267 (tripeptide-based inhibitor, 14j) Show SMILES CC(C)[C@H](NC(=O)CN1C(=O)N(CC(O)=O)C(=O)C1(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C31H40N6O9/c1-16(2)23(25(41)27-32-18-10-7-8-12-20(18)46-27)34-26(42)19-11-9-13-35(19)28(43)24(17(3)4)33-21(38)14-37-30(45)36(15-22(39)40)29(44)31(37,5)6/h7-8,10,12,16-17,19,23-24H,9,11,13-15H2,1-6H3,(H,33,38)(H,34,42)(H,39,40)/t19-,23-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	7.5	37
Dainippon Sumitomo Pharma Co					Assay Description To evaluate inhibitory effect of test compound, HNE was preincubated with each compound in the assay solution at 37 deg C for 4 min. The reaction was...				Bioorg Med Chem 17: 7477-86 (2009) Article DOI: 10.1016/j.bmc.2009.09.020 BindingDB Entry DOI: 10.7270/Q22Z13W5
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50067402 (2'-(4-bromo-2-fluorobenzyl)-7'-chlorospiro[tetrahy...) Show SMILES Fc1cc(Br)ccc1CN1C(=O)c2cc(Cl)cn2C2(CC(=O)NC2=O)C1=O Show InChI InChI=1S/C17H10BrClFN3O4/c18-9-2-1-8(11(20)3-9)6-22-14(25)12-4-10(19)7-23(12)17(16(22)27)5-13(24)21-15(17)26/h1-4,7H,5-6H2,(H,21,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase in porcine lens.				J Med Chem 41: 4118-29 (1998) Article DOI: 10.1021/jm9802968 BindingDB Entry DOI: 10.7270/Q20V8BXH
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50067413 (2'-(2-bromobenzyl)spiro[tetrahydro-1H-pyrrole-3,4'...) Show SMILES Brc1ccccc1CN1C(=O)c2cccn2C2(CC(=O)NC2=O)C1=O Show InChI InChI=1S/C17H12BrN3O4/c18-11-5-2-1-4-10(11)9-20-14(23)12-6-3-7-21(12)17(16(20)25)8-13(22)19-15(17)24/h1-7H,8-9H2,(H,19,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Dainippon Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase in porcine lens.				J Med Chem 41: 4118-29 (1998) Article DOI: 10.1021/jm9802968 BindingDB Entry DOI: 10.7270/Q20V8BXH
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50067386 (2'-(4-methylbenzyl)spiro[tetrahydro-1H-pyrrole-3,4...) Show SMILES Cc1ccc(CN2C(=O)c3cccn3C3(CC(=O)NC3=O)C2=O)cc1 Show InChI InChI=1S/C18H15N3O4/c1-11-4-6-12(7-5-11)10-20-15(23)13-3-2-8-21(13)18(17(20)25)9-14(22)19-16(18)24/h2-8H,9-10H2,1H3,(H,19,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Dainippon Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase in porcine lens.				J Med Chem 41: 4118-29 (1998) Article DOI: 10.1021/jm9802968 BindingDB Entry DOI: 10.7270/Q20V8BXH
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50067395 (6',7'-dibromo-2'-(4-bromo-2-fluorobenzyl)spiro[tet...) Show SMILES Fc1cc(Br)ccc1CN1C(=O)c2cc(Br)c(Br)n2C2(CC(=O)NC2=O)C1=O Show InChI InChI=1S/C17H9Br3FN3O4/c18-8-2-1-7(10(21)3-8)6-23-14(26)11-4-9(19)13(20)24(11)17(16(23)28)5-12(25)22-15(17)27/h1-4H,5-6H2,(H,22,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Dainippon Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase in porcine lens.				J Med Chem 41: 4118-29 (1998) Article DOI: 10.1021/jm9802968 BindingDB Entry DOI: 10.7270/Q20V8BXH
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50067411 (2'-(2-fluorobenzyl)spiro[tetrahydro-1H-pyrrole-3,4...) Show SMILES Fc1ccccc1CN1C(=O)c2cccn2C2(CC(=O)NC2=O)C1=O Show InChI InChI=1S/C17H12FN3O4/c18-11-5-2-1-4-10(11)9-20-14(23)12-6-3-7-21(12)17(16(20)25)8-13(22)19-15(17)24/h1-7H,8-9H2,(H,19,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase in porcine lens.				J Med Chem 41: 4118-29 (1998) Article DOI: 10.1021/jm9802968 BindingDB Entry DOI: 10.7270/Q20V8BXH
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM35272 (tripeptide-based inhibitor, 14o) Show SMILES CC(C)[C@H](NC(=O)CN1CCN(CC(O)=O)CC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C30H42N6O7/c1-18(2)25(27(40)29-31-20-8-5-6-10-22(20)43-29)33-28(41)21-9-7-11-36(21)30(42)26(19(3)4)32-23(37)16-34-12-14-35(15-13-34)17-24(38)39/h5-6,8,10,18-19,21,25-26H,7,9,11-17H2,1-4H3,(H,32,37)(H,33,41)(H,38,39)/t21-,25-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	7.5	37
Dainippon Sumitomo Pharma Co					Assay Description To evaluate inhibitory effect of test compound, HNE was preincubated with each compound in the assay solution at 37 deg C for 4 min. The reaction was...				Bioorg Med Chem 17: 7477-86 (2009) Article DOI: 10.1016/j.bmc.2009.09.020 BindingDB Entry DOI: 10.7270/Q22Z13W5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM35270 (tripeptide-based inhibitor, 14m) Show SMILES CC(C)[C@H](NC(=O)CN1CC(=O)N(CC(O)=O)CC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C30H38N6O9/c1-16(2)25(27(42)29-31-18-8-5-6-10-20(18)45-29)33-28(43)19-9-7-11-36(19)30(44)26(17(3)4)32-21(37)12-34-13-23(39)35(14-22(34)38)15-24(40)41/h5-6,8,10,16-17,19,25-26H,7,9,11-15H2,1-4H3,(H,32,37)(H,33,43)(H,40,41)/t19-,25-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	7.5	37
Dainippon Sumitomo Pharma Co					Assay Description To evaluate inhibitory effect of test compound, HNE was preincubated with each compound in the assay solution at 37 deg C for 4 min. The reaction was...				Bioorg Med Chem 17: 7477-86 (2009) Article DOI: 10.1016/j.bmc.2009.09.020 BindingDB Entry DOI: 10.7270/Q22Z13W5
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50067387 (2'-(2,4-difluorobenzyl)spiro[tetrahydro-1H-pyrrole...) Show SMILES Fc1ccc(CN2C(=O)c3cccn3C3(CC(=O)NC3=O)C2=O)c(F)c1 Show InChI InChI=1S/C17H11F2N3O4/c18-10-4-3-9(11(19)6-10)8-21-14(24)12-2-1-5-22(12)17(16(21)26)7-13(23)20-15(17)25/h1-6H,7-8H2,(H,20,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase in porcine lens.				J Med Chem 41: 4118-29 (1998) Article DOI: 10.1021/jm9802968 BindingDB Entry DOI: 10.7270/Q20V8BXH
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50067414 (2'-(4-trifluoromethylbenzyl)spiro[tetrahydro-1H-py...) Show SMILES FC(F)(F)c1ccc(CN2C(=O)c3cccn3C3(CC(=O)NC3=O)C2=O)cc1 Show InChI InChI=1S/C18H12F3N3O4/c19-18(20,21)11-5-3-10(4-6-11)9-23-14(26)12-2-1-7-24(12)17(16(23)28)8-13(25)22-15(17)27/h1-7H,8-9H2,(H,22,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase in porcine lens.				J Med Chem 41: 4118-29 (1998) Article DOI: 10.1021/jm9802968 BindingDB Entry DOI: 10.7270/Q20V8BXH
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50067394 (2'-benzylspiro[tetrahydro-1H-pyrrole-3,4'-(1',2',3...) Show SMILES O=C1CC2(C(=O)N1)C(=O)N(Cc1ccccc1)C(=O)c1cccn21 Show InChI InChI=1S/C17H13N3O4/c21-13-9-17(15(23)18-13)16(24)19(10-11-5-2-1-3-6-11)14(22)12-7-4-8-20(12)17/h1-8H,9-10H2,(H,18,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	99	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase in porcine lens.				J Med Chem 41: 4118-29 (1998) Article DOI: 10.1021/jm9802968 BindingDB Entry DOI: 10.7270/Q20V8BXH
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50067388 (7'-bromo-2'-(4-bromo-2-fluorobenzyl)spiro[tetrahyd...) Show SMILES Fc1cc(Br)ccc1CN1C(=O)c2cc(Br)cn2C2(CC(=O)NC2=O)C1=O Show InChI InChI=1S/C17H10Br2FN3O4/c18-9-2-1-8(11(20)3-9)6-22-14(25)12-4-10(19)7-23(12)17(16(22)27)5-13(24)21-15(17)26/h1-4,7H,5-6H2,(H,21,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase in porcine lens.				J Med Chem 41: 4118-29 (1998) Article DOI: 10.1021/jm9802968 BindingDB Entry DOI: 10.7270/Q20V8BXH
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50067380 (2'-(4-nitrobenzyl)spiro[tetrahydro-1H-pyrrole-3,4'...) Show SMILES [O-][N+](=O)c1ccc(CN2C(=O)c3cccn3C3(CC(=O)NC3=O)C2=O)cc1 Show InChI InChI=1S/C17H12N4O6/c22-13-8-17(15(24)18-13)16(25)19(14(23)12-2-1-7-20(12)17)9-10-3-5-11(6-4-10)21(26)27/h1-7H,8-9H2,(H,18,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase in porcine lens.				J Med Chem 41: 4118-29 (1998) Article DOI: 10.1021/jm9802968 BindingDB Entry DOI: 10.7270/Q20V8BXH
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50067381 (2'-(3,4-dimethoxybenzyl)spiro[tetrahydro-1H-pyrrol...) Show SMILES COc1ccc(CN2C(=O)c3cccn3C3(CC(=O)NC3=O)C2=O)cc1OC Show InChI InChI=1S/C19H17N3O6/c1-27-13-6-5-11(8-14(13)28-2)10-21-16(24)12-4-3-7-22(12)19(18(21)26)9-15(23)20-17(19)25/h3-8H,9-10H2,1-2H3,(H,20,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase in porcine lens.				J Med Chem 41: 4118-29 (1998) Article DOI: 10.1021/jm9802968 BindingDB Entry DOI: 10.7270/Q20V8BXH
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50067404 (2'-(4-fluorobenzyl)spiro[tetrahydro-1H-pyrrole-3,4...) Show SMILES Fc1ccc(CN2C(=O)c3cccn3C3(CC(=O)NC3=O)C2=O)cc1 Show InChI InChI=1S/C17H12FN3O4/c18-11-5-3-10(4-6-11)9-20-14(23)12-2-1-7-21(12)17(16(20)25)8-13(22)19-15(17)24/h1-7H,8-9H2,(H,19,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase in porcine lens.				J Med Chem 41: 4118-29 (1998) Article DOI: 10.1021/jm9802968 BindingDB Entry DOI: 10.7270/Q20V8BXH
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50067398 (CHEMBL133662 | [2-(3,4-Dichloro-benzyl)-1,3-dioxo-...) Show SMILES OC(=O)CC1C(=O)N(Cc2ccc(Cl)c(Cl)c2)C(=O)c2cccn12 Show InChI InChI=1S/C16H12Cl2N2O4/c17-10-4-3-9(6-11(10)18)8-20-15(23)12-2-1-5-19(12)13(16(20)24)7-14(21)22/h1-6,13H,7-8H2,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	131	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase in porcine lens.				J Med Chem 41: 4118-29 (1998) Article DOI: 10.1021/jm9802968 BindingDB Entry DOI: 10.7270/Q20V8BXH
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50067405 (3-[2-(3,4-Dichloro-benzyl)-1,3-dioxo-1,2,3,4-tetra...) Show SMILES OC(=O)CCC1C(=O)N(Cc2ccc(Cl)c(Cl)c2)C(=O)c2cccn12 Show InChI InChI=1S/C17H14Cl2N2O4/c18-11-4-3-10(8-12(11)19)9-21-16(24)13-2-1-7-20(13)14(17(21)25)5-6-15(22)23/h1-4,7-8,14H,5-6,9H2,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	132	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase in porcine lens.				J Med Chem 41: 4118-29 (1998) Article DOI: 10.1021/jm9802968 BindingDB Entry DOI: 10.7270/Q20V8BXH
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Sus scrofa)	BDBM50067403 (2'-(4-aminobenzyl)spiro[tetrahydro-1H-pyrrole-3,4'...) Show SMILES Nc1ccc(CN2C(=O)c3cccn3C3(CC(=O)NC3=O)C2=O)cc1 Show InChI InChI=1S/C17H14N4O4/c18-11-5-3-10(4-6-11)9-20-14(23)12-2-1-7-21(12)17(16(20)25)8-13(22)19-15(17)24/h1-7H,8-9,18H2,(H,19,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase in porcine lens.				J Med Chem 41: 4118-29 (1998) Article DOI: 10.1021/jm9802968 BindingDB Entry DOI: 10.7270/Q20V8BXH
					More data for this Ligand-Target Pair

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