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Compile Data Set for Download or QSAR

Found 201 hits with Last Name = 'verbeuren' and Initial = 'tj'   
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
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50031306
PNG
(8-chlorospiro[1,2,3,4-tetrahydronaphthalene-2,4'-(...)
Show SMILES NC1=NC2(CO1)CCc1cccc(Cl)c1C2 |t:1|
Show InChI InChI=1S/C12H13ClN2O/c13-10-3-1-2-8-4-5-12(6-9(8)10)7-16-11(14)15-12/h1-3H,4-7H2,(H2,14,15)
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1.60n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-2A adrenergic receptor in human platelets using [3H]-RX-821002 as radioligand


J Med Chem 38: 4056-69 (1995)


BindingDB Entry DOI: 10.7270/Q2DV1HXN
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50031324
PNG
(5',7'-dichlorospiro[4,5-dihydro-1H-imidazole-4,2'-...)
Show SMILES Clc1cc(Cl)c2CCC3(CNC=N3)Cc2c1 |c:11|
Show InChI InChI=1S/C12H12Cl2N2/c13-9-3-8-5-12(6-15-7-16-12)2-1-10(8)11(14)4-9/h3-4,7H,1-2,5-6H2,(H,15,16)
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3n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-2A adrenergic receptor in human platelets using [3H]-RX-821002 as radioligand


J Med Chem 38: 4056-69 (1995)


BindingDB Entry DOI: 10.7270/Q2DV1HXN
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50031311
PNG
(7'-methylspiro[4,5-dihydro-1H-imidazole-4,2'-(1',2...)
Show SMILES Cc1ccc2CCC3(CNC=N3)Cc2c1 |c:10|
Show InChI InChI=1S/C13H16N2/c1-10-2-3-11-4-5-13(7-12(11)6-10)8-14-9-15-13/h2-3,6,9H,4-5,7-8H2,1H3,(H,14,15)
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7n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-2A adrenergic receptor in human platelets using [3H]-RX-821002 as radioligand


J Med Chem 38: 4056-69 (1995)


BindingDB Entry DOI: 10.7270/Q2DV1HXN
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50031301
PNG
(8'-fluorospiro[4,5-dihydro-1H-imidazole-4,2'-(1',2...)
Show SMILES Fc1cccc2CCC3(CNC=N3)Cc12 |c:11|
Show InChI InChI=1S/C12H13FN2/c13-11-3-1-2-9-4-5-12(6-10(9)11)7-14-8-15-12/h1-3,8H,4-7H2,(H,14,15)
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12n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-2A adrenergic receptor in human platelets using [3H]-RX-821002 as radioligand


J Med Chem 38: 4056-69 (1995)


BindingDB Entry DOI: 10.7270/Q2DV1HXN
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50031316
PNG
(5'-methoxyspiro[4,5-dihydro-1H-imidazole-4,2'-(1',...)
Show SMILES COc1cccc2CC3(CNC=N3)CCc12 |c:11|
Show InChI InChI=1S/C13H16N2O/c1-16-12-4-2-3-10-7-13(6-5-11(10)12)8-14-9-15-13/h2-4,9H,5-8H2,1H3,(H,14,15)
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12n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-2A adrenergic receptor in human platelets using [3H]-RX-821002 as radioligand


J Med Chem 38: 4056-69 (1995)


BindingDB Entry DOI: 10.7270/Q2DV1HXN
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(NEONATAL RAT)
BDBM50031306
PNG
(8-chlorospiro[1,2,3,4-tetrahydronaphthalene-2,4'-(...)
Show SMILES NC1=NC2(CO1)CCc1cccc(Cl)c1C2 |t:1|
Show InChI InChI=1S/C12H13ClN2O/c13-10-3-1-2-8-4-5-12(6-9(8)10)7-16-11(14)15-12/h1-3H,4-7H2,(H2,14,15)
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20n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-2B adrenergic receptor in neonatal rat lung using [3H]-RX-821002 as radioligand


J Med Chem 38: 4056-69 (1995)


BindingDB Entry DOI: 10.7270/Q2DV1HXN
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50031319
PNG
(CHEMBL130853 | spiro[4,5-dihydro-1H-imidazole-4,2'...)
Show SMILES C1NC=NC11CCc2ccccc2C1 |c:2|
Show InChI InChI=1S/C12H14N2/c1-2-4-11-7-12(8-13-9-14-12)6-5-10(11)3-1/h1-4,9H,5-8H2,(H,13,14)
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34n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-2A adrenergic receptor in human platelets using [3H]-RX-821002 as radioligand


J Med Chem 38: 4056-69 (1995)


BindingDB Entry DOI: 10.7270/Q2DV1HXN
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(NEONATAL RAT)
BDBM50031311
PNG
(7'-methylspiro[4,5-dihydro-1H-imidazole-4,2'-(1',2...)
Show SMILES Cc1ccc2CCC3(CNC=N3)Cc2c1 |c:10|
Show InChI InChI=1S/C13H16N2/c1-10-2-3-11-4-5-13(7-12(11)6-10)8-14-9-15-13/h2-3,6,9H,4-5,7-8H2,1H3,(H,14,15)
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50n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-2B adrenergic receptor in neonatal rat lung using [3H]-RX-821002 as radioligand


J Med Chem 38: 4056-69 (1995)


BindingDB Entry DOI: 10.7270/Q2DV1HXN
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50031330
PNG
(8'-methoxyspiro[4,5-dihydro-1H-imidazole-4,2'-(1',...)
Show SMILES COc1cccc2CCC3(CNC=N3)Cc12 |c:12|
Show InChI InChI=1S/C13H16N2O/c1-16-12-4-2-3-10-5-6-13(7-11(10)12)8-14-9-15-13/h2-4,9H,5-8H2,1H3,(H,14,15)
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51n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-2A adrenergic receptor in human platelets using [3H]-RX-821002 as radioligand


J Med Chem 38: 4056-69 (1995)


BindingDB Entry DOI: 10.7270/Q2DV1HXN
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50031308
PNG
(7'-methoxyspiro[4,5-dihydro-1H-imidazole-4,2'-(1',...)
Show SMILES COc1ccc2CCC3(CNC=N3)Cc2c1 |c:11|
Show InChI InChI=1S/C13H16N2O/c1-16-12-3-2-10-4-5-13(7-11(10)6-12)8-14-9-15-13/h2-3,6,9H,4-5,7-8H2,1H3,(H,14,15)
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51n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-2A adrenergic receptor in human platelets using [3H]-RX-821002 as radioligand


J Med Chem 38: 4056-69 (1995)


BindingDB Entry DOI: 10.7270/Q2DV1HXN
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50031326
PNG
(6'-methoxyspiro[4,5-dihydro-1H-imidazole-4,2'-(1',...)
Show SMILES COc1ccc2CC3(CNC=N3)CCc2c1 |c:10|
Show InChI InChI=1S/C13H16N2O/c1-16-12-3-2-11-7-13(8-14-9-15-13)5-4-10(11)6-12/h2-3,6,9H,4-5,7-8H2,1H3,(H,14,15)
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87n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-2A adrenergic receptor in human platelets using [3H]-RX-821002 as radioligand


J Med Chem 38: 4056-69 (1995)


BindingDB Entry DOI: 10.7270/Q2DV1HXN
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(NEONATAL RAT)
BDBM50031324
PNG
(5',7'-dichlorospiro[4,5-dihydro-1H-imidazole-4,2'-...)
Show SMILES Clc1cc(Cl)c2CCC3(CNC=N3)Cc2c1 |c:11|
Show InChI InChI=1S/C12H12Cl2N2/c13-9-3-8-5-12(6-15-7-16-12)2-1-10(8)11(14)4-9/h3-4,7H,1-2,5-6H2,(H,15,16)
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95n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-2B adrenergic receptor in neonatal rat lung using [3H]-RX-821002 as radioligand


J Med Chem 38: 4056-69 (1995)


BindingDB Entry DOI: 10.7270/Q2DV1HXN
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(NEONATAL RAT)
BDBM50031330
PNG
(8'-methoxyspiro[4,5-dihydro-1H-imidazole-4,2'-(1',...)
Show SMILES COc1cccc2CCC3(CNC=N3)Cc12 |c:12|
Show InChI InChI=1S/C13H16N2O/c1-16-12-4-2-3-10-5-6-13(7-11(10)12)8-14-9-15-13/h2-4,9H,5-8H2,1H3,(H,14,15)
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99n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-2B adrenergic receptor in neonatal rat lung using [3H]-RX-821002 as radioligand


J Med Chem 38: 4056-69 (1995)


BindingDB Entry DOI: 10.7270/Q2DV1HXN
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(NEONATAL RAT)
BDBM50031308
PNG
(7'-methoxyspiro[4,5-dihydro-1H-imidazole-4,2'-(1',...)
Show SMILES COc1ccc2CCC3(CNC=N3)Cc2c1 |c:11|
Show InChI InChI=1S/C13H16N2O/c1-16-12-3-2-10-4-5-13(7-11(10)6-12)8-14-9-15-13/h2-3,6,9H,4-5,7-8H2,1H3,(H,14,15)
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99n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-2B adrenergic receptor in neonatal rat lung using [3H]-RX-821002 as radioligand


J Med Chem 38: 4056-69 (1995)


BindingDB Entry DOI: 10.7270/Q2DV1HXN
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(NEONATAL RAT)
BDBM50031301
PNG
(8'-fluorospiro[4,5-dihydro-1H-imidazole-4,2'-(1',2...)
Show SMILES Fc1cccc2CCC3(CNC=N3)Cc12 |c:11|
Show InChI InChI=1S/C12H13FN2/c13-11-3-1-2-9-4-5-12(6-10(9)11)7-14-8-15-12/h1-3,8H,4-7H2,(H,14,15)
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152n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-2B adrenergic receptor in neonatal rat lung using [3H]-RX-821002 as radioligand


J Med Chem 38: 4056-69 (1995)


BindingDB Entry DOI: 10.7270/Q2DV1HXN
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(NEONATAL RAT)
BDBM50031316
PNG
(5'-methoxyspiro[4,5-dihydro-1H-imidazole-4,2'-(1',...)
Show SMILES COc1cccc2CC3(CNC=N3)CCc12 |c:11|
Show InChI InChI=1S/C13H16N2O/c1-16-12-4-2-3-10-7-13(6-5-11(10)12)8-14-9-15-13/h2-4,9H,5-8H2,1H3,(H,14,15)
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159n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-2B adrenergic receptor in neonatal rat lung using [3H]-RX-821002 as radioligand


J Med Chem 38: 4056-69 (1995)


BindingDB Entry DOI: 10.7270/Q2DV1HXN
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(NEONATAL RAT)
BDBM50027067
PNG
((2-Chloro-5-trifluoromethyl-phenyl)-(4,5-dihydro-1...)
Show SMILES FC(F)(F)c1ccc(Cl)c(c1)\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1
Show InChI InChI=1S/C10H9ClF3N3/c11-7-2-1-6(10(12,13)14)5-8(7)17-9-15-3-4-16-9/h1-2,5H,3-4H2,(H2,15,16,17)
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179n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-2B adrenergic receptor in neonatal rat lung using [3H]-RX-821002 as radioligand


J Med Chem 38: 4056-69 (1995)


BindingDB Entry DOI: 10.7270/Q2DV1HXN
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(NEONATAL RAT)
BDBM50031319
PNG
(CHEMBL130853 | spiro[4,5-dihydro-1H-imidazole-4,2'...)
Show SMILES C1NC=NC11CCc2ccccc2C1 |c:2|
Show InChI InChI=1S/C12H14N2/c1-2-4-11-7-12(8-13-9-14-12)6-5-10(11)3-1/h1-4,9H,5-8H2,(H,13,14)
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275n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-2B adrenergic receptor in neonatal rat lung using [3H]-RX-821002 as radioligand


J Med Chem 38: 4056-69 (1995)


BindingDB Entry DOI: 10.7270/Q2DV1HXN
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(NEONATAL RAT)
BDBM50031326
PNG
(6'-methoxyspiro[4,5-dihydro-1H-imidazole-4,2'-(1',...)
Show SMILES COc1ccc2CC3(CNC=N3)CCc2c1 |c:10|
Show InChI InChI=1S/C13H16N2O/c1-16-12-3-2-11-7-13(8-14-9-15-13)5-4-10(11)6-12/h2-3,6,9H,4-5,7-8H2,1H3,(H,14,15)
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1.20E+3n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-2B adrenergic receptor in neonatal rat lung using [3H]-RX-821002 as radioligand


J Med Chem 38: 4056-69 (1995)


BindingDB Entry DOI: 10.7270/Q2DV1HXN
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50027067
PNG
((2-Chloro-5-trifluoromethyl-phenyl)-(4,5-dihydro-1...)
Show SMILES FC(F)(F)c1ccc(Cl)c(c1)\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1
Show InChI InChI=1S/C10H9ClF3N3/c11-7-2-1-6(10(12,13)14)5-8(7)17-9-15-3-4-16-9/h1-2,5H,3-4H2,(H2,15,16,17)
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1.56E+3n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-2A adrenergic receptor in human platelets using [3H]-RX-821002 as radioligand


J Med Chem 38: 4056-69 (1995)


BindingDB Entry DOI: 10.7270/Q2DV1HXN
More data for this
Ligand-Target Pair
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))
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))
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))
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
Plasminogen activator inhibitor-1


(Homo sapiens (Human))
BDBM50127745
PNG
((E)-3-[3-(4-Chloro-phenoxy)-5,6-bis-(4-phenylsulfa...)
Show SMILES OC(=O)C(=C\c1sc2cc(OCc3ccc(Sc4ccccc4)cc3)c(OCc3ccc(Sc4ccccc4)cc3)cc2c1Oc1ccc(Cl)cc1)\c1ccncc1
Show InChI InChI=1S/C48H34ClNO5S3/c49-35-15-17-36(18-16-35)55-47-42-27-43(53-30-32-11-19-39(20-12-32)56-37-7-3-1-4-8-37)44(54-31-33-13-21-40(22-14-33)57-38-9-5-2-6-10-38)29-45(42)58-46(47)28-41(48(51)52)34-23-25-50-26-24-34/h1-29H,30-31H2,(H,51,52)/b41-28+
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n/an/a 39n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against plasminogen activator inhibitor 1 (PAI-1) was evaluated by inhibition of tissue plasminogen activator/PAI-1 complex forma...


Bioorg Med Chem Lett 13: 1705-8 (2003)


BindingDB Entry DOI: 10.7270/Q2J965SB
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
Plasminogen activator inhibitor-1


(Homo sapiens (Human))
BDBM50127735
PNG
((E)-3-[3-(4-Chloro-phenoxy)-5,6-bis-(4-phenoxy-ben...)
Show SMILES OC(=O)C(=C\c1sc2cc(OCc3ccc(Oc4ccccc4)cc3)c(OCc3ccc(Oc4ccccc4)cc3)cc2c1Oc1ccc(Cl)cc1)\c1ccncc1
Show InChI InChI=1S/C48H34ClNO7S/c49-35-15-21-40(22-16-35)57-47-42-27-43(53-30-32-11-17-38(18-12-32)55-36-7-3-1-4-8-36)44(54-31-33-13-19-39(20-14-33)56-37-9-5-2-6-10-37)29-45(42)58-46(47)28-41(48(51)52)34-23-25-50-26-24-34/h1-29H,30-31H2,(H,51,52)/b41-28+
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n/an/a 100n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against plasminogen activator inhibitor 1 (PAI-1) was evaluated by inhibition of tissue plasminogen activator/PAI-1 complex forma...


Bioorg Med Chem Lett 13: 1705-8 (2003)


BindingDB Entry DOI: 10.7270/Q2J965SB
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor-1


(Homo sapiens (Human))
BDBM50127733
PNG
((E)-3-[5,6-Bis-(biphenyl-4-ylmethoxy)-3-phenoxy-be...)
Show SMILES OC(=O)C(=C\c1sc2cc(OCc3ccc(cc3)-c3ccccc3)c(OCc3ccc(cc3)-c3ccccc3)cc2c1Oc1ccccc1)\c1ccncc1
Show InChI InChI=1S/C48H35NO5S/c50-48(51)41(39-24-26-49-27-25-39)29-46-47(54-40-14-8-3-9-15-40)42-28-43(52-31-33-16-20-37(21-17-33)35-10-4-1-5-11-35)44(30-45(42)55-46)53-32-34-18-22-38(23-19-34)36-12-6-2-7-13-36/h1-30H,31-32H2,(H,50,51)/b41-29+
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n/an/a 100n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against plasminogen activator inhibitor 1 (PAI-1) was evaluated by inhibition of tissue plasminogen activator/PAI-1 complex forma...


Bioorg Med Chem Lett 13: 1705-8 (2003)


BindingDB Entry DOI: 10.7270/Q2J965SB
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
Plasminogen activator inhibitor-1


(Homo sapiens (Human))
BDBM50127743
PNG
((E)-3-[5,6-Bis-(biphenyl-4-ylmethoxy)-3-(4-chloro-...)
Show SMILES OC(=O)C(=C\c1sc2cc(OCc3ccc(cc3)-c3ccccc3)c(OCc3ccc(cc3)-c3ccccc3)cc2c1Oc1ccc(Cl)cc1)\c1ccncc1
Show InChI InChI=1S/C48H34ClNO5S/c49-39-19-21-40(22-20-39)55-47-42-27-43(53-30-32-11-15-36(16-12-32)34-7-3-1-4-8-34)44(54-31-33-13-17-37(18-14-33)35-9-5-2-6-10-35)29-45(42)56-46(47)28-41(48(51)52)38-23-25-50-26-24-38/h1-29H,30-31H2,(H,51,52)/b41-28+
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n/an/a 130n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against plasminogen activator inhibitor 1 (PAI-1) was evaluated by inhibition of tissue plasminogen activator/PAI-1 complex forma...


Bioorg Med Chem Lett 13: 1705-8 (2003)


BindingDB Entry DOI: 10.7270/Q2J965SB
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor-1


(Homo sapiens (Human))
BDBM50127732
PNG
((E)-3-[3-(4-Chloro-phenoxy)-5,6-bis-(4'-methoxy-bi...)
Show SMILES COc1ccc(cc1)-c1ccc(COc2cc3sc(\C=C(\C(O)=O)c4ccncc4)c(Oc4ccc(Cl)cc4)c3cc2OCc2ccc(cc2)-c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C50H38ClNO7S/c1-55-40-17-11-36(12-18-40)34-7-3-32(4-8-34)30-57-45-27-44-47(29-46(45)58-31-33-5-9-35(10-6-33)37-13-19-41(56-2)20-14-37)60-48(49(44)59-42-21-15-39(51)16-22-42)28-43(50(53)54)38-23-25-52-26-24-38/h3-29H,30-31H2,1-2H3,(H,53,54)/b43-28+
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n/an/a 140n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against plasminogen activator inhibitor 1 (PAI-1) was evaluated by inhibition of tissue plasminogen activator/PAI-1 complex forma...


Bioorg Med Chem Lett 13: 1705-8 (2003)


BindingDB Entry DOI: 10.7270/Q2J965SB
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
Plasminogen activator inhibitor-1


(Homo sapiens (Human))
BDBM50127742
PNG
((E)-3-[5,6-Bis-(biphenyl-3-ylmethoxy)-3-(4-chloro-...)
Show SMILES OC(=O)C(=C\c1sc2cc(OCc3cccc(c3)-c3ccccc3)c(OCc3cccc(c3)-c3ccccc3)cc2c1Oc1ccc(Cl)cc1)\c1ccncc1
Show InChI InChI=1S/C48H34ClNO5S/c49-39-17-19-40(20-18-39)55-47-42-27-43(53-30-32-9-7-15-37(25-32)34-11-3-1-4-12-34)44(54-31-33-10-8-16-38(26-33)35-13-5-2-6-14-35)29-45(42)56-46(47)28-41(48(51)52)36-21-23-50-24-22-36/h1-29H,30-31H2,(H,51,52)/b41-28+
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n/an/a 220n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against plasminogen activator inhibitor 1 (PAI-1) was evaluated by inhibition of tissue plasminogen activator/PAI-1 complex forma...


Bioorg Med Chem Lett 13: 1705-8 (2003)


BindingDB Entry DOI: 10.7270/Q2J965SB
More data for this
Ligand-Target Pair
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