Found 32 hits of Enzyme Inhibition Constant Data 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 |
|---|
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 | |
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 | |
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 | |
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 | |
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 | |
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 | |
Angiotensin-converting enzyme
(Homo sapiens (Human)) | BDBM21642
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)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) |
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 | |
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 | |
Leukotriene A-4 hydrolase
(Cavia porcellus) | 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
UniProtKB/SwissProt
B.MOAD
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 |
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)) | 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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 280 | 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) | 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
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 290 | 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)) | 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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 410 | 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) | 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
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 790 | 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) | 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
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 840 | 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) | 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
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+3 | 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) | 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
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+3 | 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) | 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
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.70E+3 | 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) | 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
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.60E+3 | 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
(Homo sapiens (Human)) | BDBM23971
((2S)-2-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanami...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(O)=O Show InChI InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13+,14+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Santen Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 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 |
3D Structure (crystal) |
Leukotriene A-4 hydrolase
(Cavia porcellus) | 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
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.10E+3 | 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) | 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
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.20E+3 | 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) | 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
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | 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
(Homo sapiens (Human)) | BDBM21642
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)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 | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Santen Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 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 |
3D Structure (crystal) |
Leukotriene A-4 hydrolase
(Cavia porcellus) | BDBM21642
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)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
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 6.30E+5 | 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 |
3D Structure (crystal) |
Search and Browse
