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Compile Data Set for Download or QSAR

Found 141 hits with Last Name = 'mennecier' and Initial = 'p'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Neprilysin


(Homo sapiens (Human))
BDBM50373665
PNG
(CHEMBL442455)
Show SMILES CC(C)CN(CP(O)(O)=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(O)=O
Show InChI InChI=1S/C19H25N2O6P/c1-13(2)11-21(12-28(25,26)27)19(24)20-17(18(22)23)10-14-7-8-15-5-3-4-6-16(15)9-14/h3-9,13,17H,10-12H2,1-2H3,(H,20,24)(H,22,23)(H2,25,26,27)/t17-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of NEP


Bioorg Med Chem Lett 18: 1058-62 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.013
BindingDB Entry DOI: 10.7270/Q23N2483
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50373657
PNG
(CHEMBL450935)
Show SMILES CC(C)CN(C[C@H](O)C(O)=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(O)=O
Show InChI InChI=1S/C21H26N2O6/c1-13(2)11-23(12-18(24)20(27)28)21(29)22-17(19(25)26)10-14-7-8-15-5-3-4-6-16(15)9-14/h3-9,13,17-18,24H,10-12H2,1-2H3,(H,22,29)(H,25,26)(H,27,28)/t17-,18-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of NEP


Bioorg Med Chem Lett 18: 1058-62 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.013
BindingDB Entry DOI: 10.7270/Q23N2483
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50373663
PNG
(CHEMBL273142)
Show SMILES CC(C)(C)CN(C[C@H](O)C(O)=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(O)=O
Show InChI InChI=1S/C22H28N2O6/c1-22(2,3)13-24(12-18(25)20(28)29)21(30)23-17(19(26)27)11-14-8-9-15-6-4-5-7-16(15)10-14/h4-10,17-18,25H,11-13H2,1-3H3,(H,23,30)(H,26,27)(H,28,29)/t17-,18-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of NEP


Bioorg Med Chem Lett 18: 1058-62 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.013
BindingDB Entry DOI: 10.7270/Q23N2483
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50373668
PNG
(CHEMBL270576)
Show SMILES CC(C)CN(C[C@H](O)C(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C17H24N2O7/c1-10(2)8-19(9-14(21)16(24)25)17(26)18-13(15(22)23)7-11-3-5-12(20)6-4-11/h3-6,10,13-14,20-21H,7-9H2,1-2H3,(H,18,26)(H,22,23)(H,24,25)/t13-,14-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of NEP


Bioorg Med Chem Lett 18: 1058-62 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.013
BindingDB Entry DOI: 10.7270/Q23N2483
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50373661
PNG
(CHEMBL257251)
Show SMILES CC(C)CN(CCP(O)(O)=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(O)=O
Show InChI InChI=1S/C20H27N2O6P/c1-14(2)13-22(9-10-29(26,27)28)20(25)21-18(19(23)24)12-15-7-8-16-5-3-4-6-17(16)11-15/h3-8,11,14,18H,9-10,12-13H2,1-2H3,(H,21,25)(H,23,24)(H2,26,27,28)/t18-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of NEP


Bioorg Med Chem Lett 18: 1058-62 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.013
BindingDB Entry DOI: 10.7270/Q23N2483
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50373660
PNG
(CHEMBL255568)
Show SMILES CC(C)CN(C[C@H](O)C(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C19H25N3O6/c1-11(2)9-22(10-16(23)18(26)27)19(28)21-15(17(24)25)7-12-8-20-14-6-4-3-5-13(12)14/h3-6,8,11,15-16,20,23H,7,9-10H2,1-2H3,(H,21,28)(H,24,25)(H,26,27)/t15-,16-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of NEP


Bioorg Med Chem Lett 18: 1058-62 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.013
BindingDB Entry DOI: 10.7270/Q23N2483
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50373664
PNG
(CHEMBL409920)
Show SMILES CC(C)CN(C[C@H](O)C(O)=O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(O)=O
Show InChI InChI=1S/C21H26N2O6/c1-13(2)11-23(12-18(24)20(27)28)21(29)22-17(19(25)26)10-15-8-5-7-14-6-3-4-9-16(14)15/h3-9,13,17-18,24H,10-12H2,1-2H3,(H,22,29)(H,25,26)(H,27,28)/t17-,18-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of NEP


Bioorg Med Chem Lett 18: 1058-62 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.013
BindingDB Entry DOI: 10.7270/Q23N2483
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50373669
PNG
(CHEMBL409720)
Show SMILES CC(C)CN(C[C@H](O)C(O)=O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C23H28N2O6/c1-15(2)13-25(14-20(26)22(29)30)23(31)24-19(21(27)28)12-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,15,19-20,26H,12-14H2,1-2H3,(H,24,31)(H,27,28)(H,29,30)/t19-,20-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of NEP


Bioorg Med Chem Lett 18: 1058-62 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.013
BindingDB Entry DOI: 10.7270/Q23N2483
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50373659
PNG
(CHEMBL258278)
Show SMILES CC(C)CN(C[C@H](O)C(O)=O)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(O)=O
Show InChI InChI=1S/C17H24N2O8/c1-9(2)7-19(8-14(22)16(25)26)17(27)18-11(15(23)24)5-10-3-4-12(20)13(21)6-10/h3-4,6,9,11,14,20-22H,5,7-8H2,1-2H3,(H,18,27)(H,23,24)(H,25,26)/t11-,14-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of NEP


Bioorg Med Chem Lett 18: 1058-62 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.013
BindingDB Entry DOI: 10.7270/Q23N2483
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50373659
PNG
(CHEMBL258278)
Show SMILES CC(C)CN(C[C@H](O)C(O)=O)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(O)=O
Show InChI InChI=1S/C17H24N2O8/c1-9(2)7-19(8-14(22)16(25)26)17(27)18-11(15(23)24)5-10-3-4-12(20)13(21)6-10/h3-4,6,9,11,14,20-22H,5,7-8H2,1-2H3,(H,18,27)(H,23,24)(H,25,26)/t11-,14-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of ACE


Bioorg Med Chem Lett 18: 1058-62 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.013
BindingDB Entry DOI: 10.7270/Q23N2483
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50373665
PNG
(CHEMBL442455)
Show SMILES CC(C)CN(CP(O)(O)=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(O)=O
Show InChI InChI=1S/C19H25N2O6P/c1-13(2)11-21(12-28(25,26)27)19(24)20-17(18(22)23)10-14-7-8-15-5-3-4-6-16(15)9-14/h3-9,13,17H,10-12H2,1-2H3,(H,20,24)(H,22,23)(H2,25,26,27)/t17-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of ACE


Bioorg Med Chem Lett 18: 1058-62 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.013
BindingDB Entry DOI: 10.7270/Q23N2483
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50373669
PNG
(CHEMBL409720)
Show SMILES CC(C)CN(C[C@H](O)C(O)=O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C23H28N2O6/c1-15(2)13-25(14-20(26)22(29)30)23(31)24-19(21(27)28)12-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,15,19-20,26H,12-14H2,1-2H3,(H,24,31)(H,27,28)(H,29,30)/t19-,20-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of ACE


Bioorg Med Chem Lett 18: 1058-62 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.013
BindingDB Entry DOI: 10.7270/Q23N2483
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50373672
PNG
(CHEMBL257416)
Show SMILES CCC(CC)CN(C[C@H](O)C(O)=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(O)=O
Show InChI InChI=1S/C23H30N2O6/c1-3-15(4-2)13-25(14-20(26)22(29)30)23(31)24-19(21(27)28)12-16-9-10-17-7-5-6-8-18(17)11-16/h5-11,15,19-20,26H,3-4,12-14H2,1-2H3,(H,24,31)(H,27,28)(H,29,30)/t19-,20-/m0/s1
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n/an/a 36n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of NEP


Bioorg Med Chem Lett 18: 1058-62 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.013
BindingDB Entry DOI: 10.7270/Q23N2483
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50373667
PNG
(CHEMBL258130)
Show SMILES O[C@@H](CN(Cc1ccc2-c3ccccc3C(=O)c2c1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(O)=O)C(O)=O
Show InChI InChI=1S/C31H26N2O7/c34-27(30(38)39)17-33(16-19-10-12-23-22-7-3-4-8-24(22)28(35)25(23)14-19)31(40)32-26(29(36)37)15-18-9-11-20-5-1-2-6-21(20)13-18/h1-14,26-27,34H,15-17H2,(H,32,40)(H,36,37)(H,38,39)/t26-,27-/m0/s1
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n/an/a 39n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of ACE


Bioorg Med Chem Lett 18: 1058-62 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.013
BindingDB Entry DOI: 10.7270/Q23N2483
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50373658
PNG
(CHEMBL273140)
Show SMILES O[C@@H](CN(Cc1ccc2C(=O)c3ccccc3C(=O)c2c1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(O)=O)C(O)=O
Show InChI InChI=1S/C32H26N2O8/c35-27(31(40)41)17-34(16-19-10-12-24-25(14-19)29(37)23-8-4-3-7-22(23)28(24)36)32(42)33-26(30(38)39)15-18-9-11-20-5-1-2-6-21(20)13-18/h1-14,26-27,35H,15-17H2,(H,33,42)(H,38,39)(H,40,41)/t26-,27-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of ACE


Bioorg Med Chem Lett 18: 1058-62 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.013
BindingDB Entry DOI: 10.7270/Q23N2483
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50373657
PNG
(CHEMBL450935)
Show SMILES CC(C)CN(C[C@H](O)C(O)=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(O)=O
Show InChI InChI=1S/C21H26N2O6/c1-13(2)11-23(12-18(24)20(27)28)21(29)22-17(19(25)26)10-14-7-8-15-5-3-4-6-16(15)9-14/h3-9,13,17-18,24H,10-12H2,1-2H3,(H,22,29)(H,25,26)(H,27,28)/t17-,18-/m0/s1
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n/an/a 52n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of ACE


Bioorg Med Chem Lett 18: 1058-62 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.013
BindingDB Entry DOI: 10.7270/Q23N2483
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50373668
PNG
(CHEMBL270576)
Show SMILES CC(C)CN(C[C@H](O)C(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C17H24N2O7/c1-10(2)8-19(9-14(21)16(24)25)17(26)18-13(15(22)23)7-11-3-5-12(20)6-4-11/h3-6,10,13-14,20-21H,7-9H2,1-2H3,(H,18,26)(H,22,23)(H,24,25)/t13-,14-/m0/s1
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n/an/a 60n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of ACE


Bioorg Med Chem Lett 18: 1058-62 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.013
BindingDB Entry DOI: 10.7270/Q23N2483
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50373671
PNG
(CHEMBL272575)
Show SMILES O[C@@H](CN(CC1CCCC1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C19H26N2O7/c22-14-7-5-12(6-8-14)9-15(17(24)25)20-19(28)21(11-16(23)18(26)27)10-13-3-1-2-4-13/h5-8,13,15-16,22-23H,1-4,9-11H2,(H,20,28)(H,24,25)(H,26,27)/t15-,16-/m0/s1
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n/an/a 90n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of NEP


Bioorg Med Chem Lett 18: 1058-62 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.013
BindingDB Entry DOI: 10.7270/Q23N2483
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50193234
PNG
(CHEMBL211973 | {(R)-1-[2-(4-carbamimidoyl-benzylca...)
Show SMILES NC(=N)c1ccc(CNC(=O)C2(Cc3ccccc3C2)NC(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cc1
Show InChI InChI=1S/C29H37N5O4/c30-26(31)21-12-10-20(11-13-21)17-33-28(38)29(15-22-8-4-5-9-23(22)16-29)34-27(37)24(32-18-25(35)36)14-19-6-2-1-3-7-19/h4-5,8-13,19,24,32H,1-3,6-7,14-18H2,(H3,30,31)(H,33,38)(H,34,37)(H,35,36)/t24-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of human aPC


J Med Chem 49: 5047-50 (2006)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50373660
PNG
(CHEMBL255568)
Show SMILES CC(C)CN(C[C@H](O)C(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C19H25N3O6/c1-11(2)9-22(10-16(23)18(26)27)19(28)21-15(17(24)25)7-12-8-20-14-6-4-3-5-13(12)14/h3-6,8,11,15-16,20,23H,7,9-10H2,1-2H3,(H,21,28)(H,24,25)(H,26,27)/t15-,16-/m0/s1
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n/an/a 103n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of ACE


Bioorg Med Chem Lett 18: 1058-62 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.013
BindingDB Entry DOI: 10.7270/Q23N2483
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50373664
PNG
(CHEMBL409920)
Show SMILES CC(C)CN(C[C@H](O)C(O)=O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(O)=O
Show InChI InChI=1S/C21H26N2O6/c1-13(2)11-23(12-18(24)20(27)28)21(29)22-17(19(25)26)10-15-8-5-7-14-6-3-4-9-16(14)15/h3-9,13,17-18,24H,10-12H2,1-2H3,(H,22,29)(H,25,26)(H,27,28)/t17-,18-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of ACE


Bioorg Med Chem Lett 18: 1058-62 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.013
BindingDB Entry DOI: 10.7270/Q23N2483
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50373662
PNG
(CHEMBL256895)
Show SMILES O[C@@H](CN(Cc1ccc-2c(Cc3ccccc-23)c1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(O)=O)C(O)=O
Show InChI InChI=1S/C31H28N2O6/c34-28(30(37)38)18-33(17-20-10-12-26-24(14-20)16-23-7-3-4-8-25(23)26)31(39)32-27(29(35)36)15-19-9-11-21-5-1-2-6-22(21)13-19/h1-14,27-28,34H,15-18H2,(H,32,39)(H,35,36)(H,37,38)/t27-,28-/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of ACE


Bioorg Med Chem Lett 18: 1058-62 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.013
BindingDB Entry DOI: 10.7270/Q23N2483
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50373663
PNG
(CHEMBL273142)
Show SMILES CC(C)(C)CN(C[C@H](O)C(O)=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(O)=O
Show InChI InChI=1S/C22H28N2O6/c1-22(2,3)13-24(12-18(25)20(28)29)21(30)23-17(19(26)27)11-14-8-9-15-6-4-5-7-16(15)10-14/h4-10,17-18,25H,11-13H2,1-3H3,(H,23,30)(H,26,27)(H,28,29)/t17-,18-/m0/s1
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n/an/a 191n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of ACE


Bioorg Med Chem Lett 18: 1058-62 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.013
BindingDB Entry DOI: 10.7270/Q23N2483
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50293389
PNG
(CHEMBL553237 | {(3S)-5-[2-({4-[Amino(imino)methyl]...)
Show SMILES NC(=N)c1ccc(CNC(=O)CN2c3cc(CC(O)=O)ccc3SC[C@@H](NS(=O)(=O)Cc3ccccc3)C2=O)cc1 |r|
Show InChI InChI=1S/C28H29N5O6S2/c29-27(30)21-9-6-18(7-10-21)14-31-25(34)15-33-23-12-20(13-26(35)36)8-11-24(23)40-16-22(28(33)37)32-41(38,39)17-19-4-2-1-3-5-19/h1-12,22,32H,13-17H2,(H3,29,30)(H,31,34)(H,35,36)/t22-/m1/s1
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n/an/a 210n/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by spectrometry


Bioorg Med Chem Lett 19: 1386-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.039
BindingDB Entry DOI: 10.7270/Q2G73DRB
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50193230
PNG
(CHEMBL215639 | {(R)-1-[2-(4-carbamimidoyl-benzylca...)
Show SMILES CC(C)[C@@H](NCC(O)=O)C(=O)NC1(Cc2ccc3ccccc3c2C1)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C29H33N5O4/c1-17(2)25(32-16-24(35)36)27(37)34-29(28(38)33-15-18-7-9-20(10-8-18)26(30)31)13-21-12-11-19-5-3-4-6-22(19)23(21)14-29/h3-12,17,25,32H,13-16H2,1-2H3,(H3,30,31)(H,33,38)(H,34,37)(H,35,36)/t25-,29?/m1/s1
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n/an/a 250n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of human aPC


J Med Chem 49: 5047-50 (2006)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50193224
PNG
(((R)-1-{[(S)-(4-carbamimidoyl-benzylcarbamoyl)-ind...)
Show SMILES CC(C)[C@@H](NCC(O)=O)C(=O)N[C@@H](C1Cc2ccccc2C1)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C26H33N5O4/c1-15(2)22(29-14-21(32)33)26(35)31-23(20-11-18-5-3-4-6-19(18)12-20)25(34)30-13-16-7-9-17(10-8-16)24(27)28/h3-10,15,20,22-23,29H,11-14H2,1-2H3,(H3,27,28)(H,30,34)(H,31,35)(H,32,33)/t22-,23+/m1/s1
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n/an/a 350n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of human aPC


J Med Chem 49: 5047-50 (2006)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50193229
PNG
(CHEMBL215357 | {(R)-1-[2-(4-carbamimidoyl-benzylca...)
Show SMILES CC(C)[C@@H](NCC(O)=O)C(=O)NC1(Cc2cccc3cccc(C1)c23)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C29H33N5O4/c1-17(2)25(32-16-23(35)36)27(37)34-29(28(38)33-15-18-9-11-20(12-10-18)26(30)31)13-21-7-3-5-19-6-4-8-22(14-29)24(19)21/h3-12,17,25,32H,13-16H2,1-2H3,(H3,30,31)(H,33,38)(H,34,37)(H,35,36)/t25-/m1/s1
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n/an/a 430n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of human aPC


J Med Chem 49: 5047-50 (2006)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50373666
PNG
(CHEMBL271718)
Show SMILES O[C@@H](CN(CCN1C(=O)c2cccc3cccc(C1=O)c23)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(O)=O)C(O)=O
Show InChI InChI=1S/C31H27N3O8/c35-25(30(40)41)17-33(13-14-34-27(36)22-9-3-7-20-8-4-10-23(26(20)22)28(34)37)31(42)32-24(29(38)39)16-18-11-12-19-5-1-2-6-21(19)15-18/h1-12,15,24-25,35H,13-14,16-17H2,(H,32,42)(H,38,39)(H,40,41)/t24-,25-/m0/s1
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n/an/a 650n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of NEP


Bioorg Med Chem Lett 18: 1058-62 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.013
BindingDB Entry DOI: 10.7270/Q23N2483
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50193242
PNG
(CHEMBL212789 | {(R)-1-[(S)-1-(4-carbamimidoyl-benz...)
Show SMILES CC(C)[C@@H](NCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C24H31N5O4/c1-15(2)21(27-14-20(30)31)24(33)29-19(12-16-6-4-3-5-7-16)23(32)28-13-17-8-10-18(11-9-17)22(25)26/h3-11,15,19,21,27H,12-14H2,1-2H3,(H3,25,26)(H,28,32)(H,29,33)(H,30,31)/t19-,21+/m0/s1
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n/an/a 710n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of human aPC


J Med Chem 49: 5047-50 (2006)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50193241
PNG
(CHEMBL380157 | {(R)-1-[2-(4-carbamimidoyl-benzylca...)
Show SMILES CC(C)C[C@@H](NCC(O)=O)C(=O)NC1(Cc2ccccc2C1)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C26H33N5O4/c1-16(2)11-21(29-15-22(32)33)24(34)31-26(12-19-5-3-4-6-20(19)13-26)25(35)30-14-17-7-9-18(10-8-17)23(27)28/h3-10,16,21,29H,11-15H2,1-2H3,(H3,27,28)(H,30,35)(H,31,34)(H,32,33)/t21-/m1/s1
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n/an/a 750n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of human aPC


J Med Chem 49: 5047-50 (2006)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50193230
PNG
(CHEMBL215639 | {(R)-1-[2-(4-carbamimidoyl-benzylca...)
Show SMILES CC(C)[C@@H](NCC(O)=O)C(=O)NC1(Cc2ccc3ccccc3c2C1)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C29H33N5O4/c1-17(2)25(32-16-24(35)36)27(37)34-29(28(38)33-15-18-7-9-20(10-8-18)26(30)31)13-21-12-11-19-5-3-4-6-22(19)23(21)14-29/h3-12,17,25,32H,13-16H2,1-2H3,(H3,30,31)(H,33,38)(H,34,37)(H,35,36)/t25-,29?/m1/s1
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n/an/a 770n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of human thrombin activity


J Med Chem 49: 5047-50 (2006)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50293383
PNG
(2-[(3S)-3-[Benzylsulfonylamino]-7-(3-nitrophenyl)-...)
Show SMILES NC(=N)c1ccc(CNC(=O)CN2c3cc(ccc3SC[C@@H](NS(=O)(=O)Cc3ccccc3)C2=O)-c2cccc(c2)[N+]([O-])=O)cc1 |r|
Show InChI InChI=1S/C32H30N6O6S2/c33-31(34)23-11-9-21(10-12-23)17-35-30(39)18-37-28-16-25(24-7-4-8-26(15-24)38(41)42)13-14-29(28)45-19-27(32(37)40)36-46(43,44)20-22-5-2-1-3-6-22/h1-16,27,36H,17-20H2,(H3,33,34)(H,35,39)/t27-/m1/s1
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n/an/a 790n/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Inhibition of human factor 2a by spectrophotometry


Bioorg Med Chem Lett 19: 1386-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.039
BindingDB Entry DOI: 10.7270/Q2G73DRB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50293387
PNG
(2-[(3S)-8-Aminomethyl-3-[benzylsulfonylamino]-4-ox...)
Show SMILES NCc1ccc2N(CC(=O)NCc3ccc(cc3)C(N)=N)C(=O)[C@@H](CSc2c1)NS(=O)(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C27H30N6O4S2/c28-13-20-8-11-23-24(12-20)38-16-22(32-39(36,37)17-19-4-2-1-3-5-19)27(35)33(23)15-25(34)31-14-18-6-9-21(10-7-18)26(29)30/h1-12,22,32H,13-17,28H2,(H3,29,30)(H,31,34)/t22-/m1/s1
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n/an/a 800n/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by spectrometry


Bioorg Med Chem Lett 19: 1386-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.039
BindingDB Entry DOI: 10.7270/Q2G73DRB
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50193240
PNG
(CHEMBL426333 | {(R)-1-[2-(4-carbamimidoyl-benzylca...)
Show SMILES CC(C)[C@@H](NCC(O)=O)C(=O)NC1(Cc2ccccc2C1)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C25H31N5O4/c1-15(2)21(28-14-20(31)32)23(33)30-25(11-18-5-3-4-6-19(18)12-25)24(34)29-13-16-7-9-17(10-8-16)22(26)27/h3-10,15,21,28H,11-14H2,1-2H3,(H3,26,27)(H,29,34)(H,30,33)(H,31,32)/t21-/m1/s1
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n/an/a 800n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of human aPC


J Med Chem 49: 5047-50 (2006)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50193243
PNG
(({(R)-[2-(4-carbamimidoyl-benzylcarbamoyl)-indan-2...)
Show SMILES NC(=N)c1ccc(CNC(=O)C2(Cc3ccccc3C2)NC(=O)[C@H](NCC(O)=O)C2CCCCC2)cc1
Show InChI InChI=1S/C28H35N5O4/c29-25(30)20-12-10-18(11-13-20)16-32-27(37)28(14-21-8-4-5-9-22(21)15-28)33-26(36)24(31-17-23(34)35)19-6-2-1-3-7-19/h4-5,8-13,19,24,31H,1-3,6-7,14-17H2,(H3,29,30)(H,32,37)(H,33,36)(H,34,35)/t24-/m1/s1
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n/an/a 820n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of human aPC


J Med Chem 49: 5047-50 (2006)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50293384
PNG
(2-Amino-3-{(3S)-5-[2-({4-[amino(imino)methyl]benzy...)
Show SMILES NC(Cc1ccc2SC[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N(CC(=O)NCc3ccc(cc3)C(N)=N)c2c1)C(O)=O |r|
Show InChI InChI=1S/C29H32N6O6S2/c30-22(29(38)39)12-20-8-11-25-24(13-20)35(15-26(36)33-14-18-6-9-21(10-7-18)27(31)32)28(37)23(16-42-25)34-43(40,41)17-19-4-2-1-3-5-19/h1-11,13,22-23,34H,12,14-17,30H2,(H3,31,32)(H,33,36)(H,38,39)/t22?,23-/m1/s1
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n/an/a 1.05E+3n/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by spectrometry


Bioorg Med Chem Lett 19: 1386-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.039
BindingDB Entry DOI: 10.7270/Q2G73DRB
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50193235
PNG
(CHEMBL215870 | {(R)-1-[6-(4-carbamimidoyl-benzylca...)
Show SMILES CC(C)[C@@H](NCC(O)=O)C(=O)NC1(Cc2cccnc2C1)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C24H30N6O4/c1-14(2)20(28-13-19(31)32)22(33)30-24(10-17-4-3-9-27-18(17)11-24)23(34)29-12-15-5-7-16(8-6-15)21(25)26/h3-9,14,20,28H,10-13H2,1-2H3,(H3,25,26)(H,29,34)(H,30,33)(H,31,32)/t20-,24?/m1/s1
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n/an/a 1.07E+3n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of human aPC


J Med Chem 49: 5047-50 (2006)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50193228
PNG
(CHEMBL215556 | {(R)-1-[2-(4-carbamimidoyl-benzylca...)
Show SMILES CCC(C)C[C@@H](NCC(O)=O)C(=O)NC1(Cc2ccccc2C1)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C27H35N5O4/c1-3-17(2)12-22(30-16-23(33)34)25(35)32-27(13-20-6-4-5-7-21(20)14-27)26(36)31-15-18-8-10-19(11-9-18)24(28)29/h4-11,17,22,30H,3,12-16H2,1-2H3,(H3,28,29)(H,31,36)(H,32,35)(H,33,34)/t17?,22-/m1/s1
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n/an/a 1.12E+3n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of human aPC


J Med Chem 49: 5047-50 (2006)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50193235
PNG
(CHEMBL215870 | {(R)-1-[6-(4-carbamimidoyl-benzylca...)
Show SMILES CC(C)[C@@H](NCC(O)=O)C(=O)NC1(Cc2cccnc2C1)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C24H30N6O4/c1-14(2)20(28-13-19(31)32)22(33)30-24(10-17-4-3-9-27-18(17)11-24)23(34)29-12-15-5-7-16(8-6-15)21(25)26/h3-9,14,20,28H,10-13H2,1-2H3,(H3,25,26)(H,29,34)(H,30,33)(H,31,32)/t20-,24?/m1/s1
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n/an/a 1.14E+3n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of human aPC


J Med Chem 49: 5047-50 (2006)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50193234
PNG
(CHEMBL211973 | {(R)-1-[2-(4-carbamimidoyl-benzylca...)
Show SMILES NC(=N)c1ccc(CNC(=O)C2(Cc3ccccc3C2)NC(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cc1
Show InChI InChI=1S/C29H37N5O4/c30-26(31)21-12-10-20(11-13-21)17-33-28(38)29(15-22-8-4-5-9-23(22)16-29)34-27(37)24(32-18-25(35)36)14-19-6-2-1-3-7-19/h4-5,8-13,19,24,32H,1-3,6-7,14-18H2,(H3,30,31)(H,33,38)(H,34,37)(H,35,36)/t24-/m1/s1
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n/an/a 1.25E+3n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of human thrombin activity


J Med Chem 49: 5047-50 (2006)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens (Human))
BDBM50293385
PNG
(2-[(3S)-7-[2-Aminoethyl]-3-[benzylsulfonylamino]-4...)
Show SMILES NCCc1ccc2SC[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N(CC(=O)NCc3ccc(cc3)C(N)=N)c2c1 |r|
Show InChI InChI=1S/C28H32N6O4S2/c29-13-12-19-8-11-25-24(14-19)34(16-26(35)32-15-20-6-9-22(10-7-20)27(30)31)28(36)23(17-39-25)33-40(37,38)18-21-4-2-1-3-5-21/h1-11,14,23,33H,12-13,15-18,29H2,(H3,30,31)(H,32,35)/t23-/m1/s1
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n/an/a 1.32E+3n/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Inhibition of human tissue factor/factor 7a


Bioorg Med Chem Lett 19: 1386-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.039
BindingDB Entry DOI: 10.7270/Q2G73DRB
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens (Human))
BDBM50293384
PNG
(2-Amino-3-{(3S)-5-[2-({4-[amino(imino)methyl]benzy...)
Show SMILES NC(Cc1ccc2SC[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N(CC(=O)NCc3ccc(cc3)C(N)=N)c2c1)C(O)=O |r|
Show InChI InChI=1S/C29H32N6O6S2/c30-22(29(38)39)12-20-8-11-25-24(13-20)35(15-26(36)33-14-18-6-9-21(10-7-18)27(31)32)28(37)23(16-42-25)34-43(40,41)17-19-4-2-1-3-5-19/h1-11,13,22-23,34H,12,14-17,30H2,(H3,31,32)(H,33,36)(H,38,39)/t22?,23-/m1/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Inhibition of human tissue factor/factor 7a


Bioorg Med Chem Lett 19: 1386-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.039
BindingDB Entry DOI: 10.7270/Q2G73DRB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50293391
PNG
(2-[(3S)-7-Amino-3-[benzylsulfonylamino]-4-oxo-3,4-...)
Show SMILES NC(=N)c1ccc(CNC(=O)CN2c3cc(N)ccc3SC[C@@H](NS(=O)(=O)Cc3ccccc3)C2=O)cc1 |r|
Show InChI InChI=1S/C26H28N6O4S2/c27-20-10-11-23-22(12-20)32(14-24(33)30-13-17-6-8-19(9-7-17)25(28)29)26(34)21(15-37-23)31-38(35,36)16-18-4-2-1-3-5-18/h1-12,21,31H,13-16,27H2,(H3,28,29)(H,30,33)/t21-/m1/s1
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n/an/a 1.52E+3n/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by spectrometry


Bioorg Med Chem Lett 19: 1386-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.039
BindingDB Entry DOI: 10.7270/Q2G73DRB
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50373670
PNG
(CHEMBL402569)
Show SMILES O[C@@H](CN(CC1CCCCC1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C20H28N2O7/c23-15-8-6-13(7-9-15)10-16(18(25)26)21-20(29)22(12-17(24)19(27)28)11-14-4-2-1-3-5-14/h6-9,14,16-17,23-24H,1-5,10-12H2,(H,21,29)(H,25,26)(H,27,28)/t16-,17-/m0/s1
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n/an/a 1.54E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of NEP


Bioorg Med Chem Lett 18: 1058-62 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.013
BindingDB Entry DOI: 10.7270/Q23N2483
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50293390
PNG
(2-[(3S)-8-Amino-3-[benzylsulfonylamino]-4-oxo-3,4-...)
Show SMILES NC(=N)c1ccc(CNC(=O)CN2c3ccc(N)cc3SC[C@@H](NS(=O)(=O)Cc3ccccc3)C2=O)cc1 |r|
Show InChI InChI=1S/C26H28N6O4S2/c27-20-10-11-22-23(12-20)37-15-21(31-38(35,36)16-18-4-2-1-3-5-18)26(34)32(22)14-24(33)30-13-17-6-8-19(9-7-17)25(28)29/h1-12,21,31H,13-16,27H2,(H3,28,29)(H,30,33)/t21-/m1/s1
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n/an/a 1.63E+3n/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by spectrometry


Bioorg Med Chem Lett 19: 1386-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.039
BindingDB Entry DOI: 10.7270/Q2G73DRB
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50193232
PNG
(CHEMBL448732 | {(R)-1-[6-(4-carbamimidoyl-benzylca...)
Show SMILES CC(C)[C@@H](NCC(O)=O)C(=O)NC1(Cc2ccncc2C1)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C24H30N6O4/c1-14(2)20(28-13-19(31)32)22(33)30-24(9-17-7-8-27-12-18(17)10-24)23(34)29-11-15-3-5-16(6-4-15)21(25)26/h3-8,12,14,20,28H,9-11,13H2,1-2H3,(H3,25,26)(H,29,34)(H,30,33)(H,31,32)/t20-,24?/m1/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of human aPC


J Med Chem 49: 5047-50 (2006)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50293388
PNG
(2-[(3S)-7-Aminomethyl-3-[benzylsulfonylamino]-4-ox...)
Show SMILES NCc1ccc2SC[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N(CC(=O)NCc3ccc(cc3)C(N)=N)c2c1 |r|
Show InChI InChI=1S/C27H30N6O4S2/c28-13-20-8-11-24-23(12-20)33(15-25(34)31-14-18-6-9-21(10-7-18)26(29)30)27(35)22(16-38-24)32-39(36,37)17-19-4-2-1-3-5-19/h1-12,22,32H,13-17,28H2,(H3,29,30)(H,31,34)/t22-/m1/s1
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n/an/a 1.72E+3n/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by spectrometry


Bioorg Med Chem Lett 19: 1386-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.039
BindingDB Entry DOI: 10.7270/Q2G73DRB
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens (Human))
BDBM50293388
PNG
(2-[(3S)-7-Aminomethyl-3-[benzylsulfonylamino]-4-ox...)
Show SMILES NCc1ccc2SC[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N(CC(=O)NCc3ccc(cc3)C(N)=N)c2c1 |r|
Show InChI InChI=1S/C27H30N6O4S2/c28-13-20-8-11-24-23(12-20)33(15-25(34)31-14-18-6-9-21(10-7-18)26(29)30)27(35)22(16-38-24)32-39(36,37)17-19-4-2-1-3-5-19/h1-12,22,32H,13-17,28H2,(H3,29,30)(H,31,34)/t22-/m1/s1
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n/an/a 1.86E+3n/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Inhibition of human tissue factor/factor 7a


Bioorg Med Chem Lett 19: 1386-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.039
BindingDB Entry DOI: 10.7270/Q2G73DRB
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50293391
PNG
(2-[(3S)-7-Amino-3-[benzylsulfonylamino]-4-oxo-3,4-...)
Show SMILES NC(=N)c1ccc(CNC(=O)CN2c3cc(N)ccc3SC[C@@H](NS(=O)(=O)Cc3ccccc3)C2=O)cc1 |r|
Show InChI InChI=1S/C26H28N6O4S2/c27-20-10-11-23-22(12-20)32(14-24(33)30-13-17-6-8-19(9-7-17)25(28)29)26(34)21(15-37-23)31-38(35,36)16-18-4-2-1-3-5-18/h1-12,21,31H,13-16,27H2,(H3,28,29)(H,30,33)/t21-/m1/s1
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n/an/a 1.89E+3n/an/an/an/an/an/a



Universit£ Montpellier 1

Curated by ChEMBL


Assay Description
Inhibition of human factor 2a by spectrophotometry


Bioorg Med Chem Lett 19: 1386-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.039
BindingDB Entry DOI: 10.7270/Q2G73DRB
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50373666
PNG
(CHEMBL271718)
Show SMILES O[C@@H](CN(CCN1C(=O)c2cccc3cccc(C1=O)c23)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(O)=O)C(O)=O
Show InChI InChI=1S/C31H27N3O8/c35-25(30(40)41)17-33(13-14-34-27(36)22-9-3-7-20-8-4-10-23(26(20)22)28(34)37)31(42)32-24(29(38)39)16-18-11-12-19-5-1-2-6-21(19)15-18/h1-12,15,24-25,35H,13-14,16-17H2,(H,32,42)(H,38,39)(H,40,41)/t24-,25-/m0/s1
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n/an/a 1.98E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of ACE


Bioorg Med Chem Lett 18: 1058-62 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.013
BindingDB Entry DOI: 10.7270/Q23N2483
More data for this
Ligand-Target Pair
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