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Compile Data Set for Download or QSAR

Found 66 hits Enz. Inhib. hit(s) with all data for entry = 50036332   
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
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50035236
PNG
(3-(2-Hydroxycarbamoyl-3-methyl-butyrylamino)-propi...)
Show SMILES CC(C)C(C(=O)NO)C(=O)NCCC(O)=O
Show InChI InChI=1S/C9H16N2O5/c1-5(2)7(9(15)11-16)8(14)10-4-3-6(12)13/h5,7,16H,3-4H2,1-2H3,(H,10,14)(H,11,15)(H,12,13)
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n/an/a 0.0100n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human bronchiolar smooth muscle Endothelin-converting enzyme 1


J Med Chem 38: 2119-29 (1995)


Article DOI: 10.1021/jm00012a011
BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50035247
PNG
(2-(2-Hydroxycarbamoyl-3-methyl-butyrylamino)-3-(1H...)
Show SMILES CC(C)C(C(=O)NO)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C17H21N3O5/c1-9(2)14(16(22)20-25)15(21)19-13(17(23)24)7-10-8-18-12-6-4-3-5-11(10)12/h3-6,8-9,13-14,18,25H,7H2,1-2H3,(H,19,21)(H,20,22)(H,23,24)
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n/an/a 0.0300n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against big ET-1 of Neutral endopeptidase


J Med Chem 38: 2119-29 (1995)


Article DOI: 10.1021/jm00012a011
BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50035246
PNG
(2-(2-Hydroxycarbamoyl-4-methyl-pentanoylamino)-3-(...)
Show SMILES CC(C)CC(C(=O)NO)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C18H23N3O5/c1-10(2)7-13(17(23)21-26)16(22)20-15(18(24)25)8-11-9-19-14-6-4-3-5-12(11)14/h3-6,9-10,13,15,19,26H,7-8H2,1-2H3,(H,20,22)(H,21,23)(H,24,25)
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n/an/a 0.0300n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Leu-enkeph of Neutral endopeptidase


J Med Chem 38: 2119-29 (1995)


Article DOI: 10.1021/jm00012a011
BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50035246
PNG
(2-(2-Hydroxycarbamoyl-4-methyl-pentanoylamino)-3-(...)
Show SMILES CC(C)CC(C(=O)NO)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C18H23N3O5/c1-10(2)7-13(17(23)21-26)16(22)20-15(18(24)25)8-11-9-19-14-6-4-3-5-12(11)14/h3-6,9-10,13,15,19,26H,7-8H2,1-2H3,(H,20,22)(H,21,23)(H,24,25)
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n/an/a 0.0700n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against big ET-1 of Neutral endopeptidase


J Med Chem 38: 2119-29 (1995)


Article DOI: 10.1021/jm00012a011
BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50035247
PNG
(2-(2-Hydroxycarbamoyl-3-methyl-butyrylamino)-3-(1H...)
Show SMILES CC(C)C(C(=O)NO)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C17H21N3O5/c1-9(2)14(16(22)20-25)15(21)19-13(17(23)24)7-10-8-18-12-6-4-3-5-11(10)12/h3-6,8-9,13-14,18,25H,7H2,1-2H3,(H,19,21)(H,20,22)(H,23,24)
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n/an/a 0.200n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human bronchiolar smooth muscle Endothelin-converting enzyme 1


J Med Chem 38: 2119-29 (1995)


Article DOI: 10.1021/jm00012a011
BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50035246
PNG
(2-(2-Hydroxycarbamoyl-4-methyl-pentanoylamino)-3-(...)
Show SMILES CC(C)CC(C(=O)NO)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C18H23N3O5/c1-10(2)7-13(17(23)21-26)16(22)20-15(18(24)25)8-11-9-19-14-6-4-3-5-12(11)14/h3-6,9-10,13,15,19,26H,7-8H2,1-2H3,(H,20,22)(H,21,23)(H,24,25)
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n/an/a 0.25n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human bronchiolar smooth muscle Endothelin-converting enzyme 1


J Med Chem 38: 2119-29 (1995)


Article DOI: 10.1021/jm00012a011
BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50035247
PNG
(2-(2-Hydroxycarbamoyl-3-methyl-butyrylamino)-3-(1H...)
Show SMILES CC(C)C(C(=O)NO)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C17H21N3O5/c1-9(2)14(16(22)20-25)15(21)19-13(17(23)24)7-10-8-18-12-6-4-3-5-11(10)12/h3-6,8-9,13-14,18,25H,7H2,1-2H3,(H,19,21)(H,20,22)(H,23,24)
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n/an/a 0.400n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Leu-enkeph of Neutral endopeptidase


J Med Chem 38: 2119-29 (1995)


Article DOI: 10.1021/jm00012a011
BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50251742
PNG
((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...)
Show SMILES CC(C)C[C@H](NP(O)(=O)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/t12-,16-,17-,18-,19+,20+,23-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human bronchiolar smooth muscle Endothelin-converting enzyme 1


J Med Chem 38: 2119-29 (1995)


Article DOI: 10.1021/jm00012a011
BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50035236
PNG
(3-(2-Hydroxycarbamoyl-3-methyl-butyrylamino)-propi...)
Show SMILES CC(C)C(C(=O)NO)C(=O)NCCC(O)=O
Show InChI InChI=1S/C9H16N2O5/c1-5(2)7(9(15)11-16)8(14)10-4-3-6(12)13/h5,7,16H,3-4H2,1-2H3,(H,10,14)(H,11,15)(H,12,13)
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n/an/a 1n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against big ET-1 of Neutral endopeptidase


J Med Chem 38: 2119-29 (1995)


Article DOI: 10.1021/jm00012a011
BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50035251
PNG
(2-(2-Hydroxycarbamoyl-3-methyl-butyrylamino)-succi...)
Show SMILES CC(C)C(C(=O)NO)C(=O)NC(CC(N)=O)C(O)=O
Show InChI InChI=1S/C10H17N3O6/c1-4(2)7(9(16)13-19)8(15)12-5(10(17)18)3-6(11)14/h4-5,7,19H,3H2,1-2H3,(H2,11,14)(H,12,15)(H,13,16)(H,17,18)
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n/an/a 1n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Leu-enkeph of Neutral endopeptidase


J Med Chem 38: 2119-29 (1995)


Article DOI: 10.1021/jm00012a011
BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50105264
PNG
(2-(2-Benzyl-3-hydroxycarbamoyl-propionylamino)-pro...)
Show SMILES C[C@H](NC(=O)[C@@H](CC(=O)NO)Cc1ccccc1)C([O-])=O
Show InChI InChI=1S/C14H18N2O5/c1-9(14(19)20)15-13(18)11(8-12(17)16-21)7-10-5-3-2-4-6-10/h2-6,9,11,21H,7-8H2,1H3,(H,15,18)(H,16,17)(H,19,20)/p-1/t9-,11+/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Leu-enkeph of Neutral endopeptidase


J Med Chem 38: 2119-29 (1995)


Article DOI: 10.1021/jm00012a011
BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50035239
PNG
(CHEMBL63317 | N-[1-Carbamoyl-2-(1H-indol-3-yl)-eth...)
Show SMILES CC(C)C(C(=O)NO)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C17H22N4O4/c1-9(2)14(17(24)21-25)16(23)20-13(15(18)22)7-10-8-19-12-6-4-3-5-11(10)12/h3-6,8-9,13-14,19,25H,7H2,1-2H3,(H2,18,22)(H,20,23)(H,21,24)
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n/an/a 1.20n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human bronchiolar smooth muscle Endothelin-converting enzyme 1


J Med Chem 38: 2119-29 (1995)


Article DOI: 10.1021/jm00012a011
BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50035235
PNG
(CHEMBL2372437 | N-[1-(Carbamoylmethyl-carbamoyl)-e...)
Show SMILES CC(C)C[C@H](C(=O)NO)C(=O)N[C@@H](C)C(=O)NCC(N)=O
Show InChI InChI=1S/C12H22N4O5/c1-6(2)4-8(12(20)16-21)11(19)15-7(3)10(18)14-5-9(13)17/h6-8,21H,4-5H2,1-3H3,(H2,13,17)(H,14,18)(H,15,19)(H,16,20)/t7-,8-/m0/s1
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Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Leu-enkeph of Neutral endopeptidase


J Med Chem 38: 2119-29 (1995)


Article DOI: 10.1021/jm00012a011
BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50035249
PNG
(CHEMBL303892 | N-[1-Carbamoyl-2-(1H-indol-3-yl)-et...)
Show SMILES CC(C)CC(C(=O)NO)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C18H24N4O4/c1-10(2)7-13(18(25)22-26)17(24)21-15(16(19)23)8-11-9-20-14-6-4-3-5-12(11)14/h3-6,9-10,13,15,20,26H,7-8H2,1-2H3,(H2,19,23)(H,21,24)(H,22,25)
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Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Leu-enkeph of Neutral endopeptidase


J Med Chem 38: 2119-29 (1995)


Article DOI: 10.1021/jm00012a011
BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50251742
PNG
((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...)
Show SMILES CC(C)C[C@H](NP(O)(=O)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/t12-,16-,17-,18-,19+,20+,23-/m0/s1
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Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against big ET-1 of Neutral endopeptidase


J Med Chem 38: 2119-29 (1995)


Article DOI: 10.1021/jm00012a011
BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50035239
PNG
(CHEMBL63317 | N-[1-Carbamoyl-2-(1H-indol-3-yl)-eth...)
Show SMILES CC(C)C(C(=O)NO)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C17H22N4O4/c1-9(2)14(17(24)21-25)16(23)20-13(15(18)22)7-10-8-19-12-6-4-3-5-11(10)12/h3-6,8-9,13-14,19,25H,7H2,1-2H3,(H2,18,22)(H,20,23)(H,21,24)
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Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Leu-enkeph of Neutral endopeptidase


J Med Chem 38: 2119-29 (1995)


Article DOI: 10.1021/jm00012a011
BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50035236
PNG
(3-(2-Hydroxycarbamoyl-3-methyl-butyrylamino)-propi...)
Show SMILES CC(C)C(C(=O)NO)C(=O)NCCC(O)=O
Show InChI InChI=1S/C9H16N2O5/c1-5(2)7(9(15)11-16)8(14)10-4-3-6(12)13/h5,7,16H,3-4H2,1-2H3,(H,10,14)(H,11,15)(H,12,13)
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Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Leu-enkeph of Neutral endopeptidase


J Med Chem 38: 2119-29 (1995)


Article DOI: 10.1021/jm00012a011
BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50035249
PNG
(CHEMBL303892 | N-[1-Carbamoyl-2-(1H-indol-3-yl)-et...)
Show SMILES CC(C)CC(C(=O)NO)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C18H24N4O4/c1-10(2)7-13(18(25)22-26)17(24)21-15(16(19)23)8-11-9-20-14-6-4-3-5-12(11)14/h3-6,9-10,13,15,20,26H,7-8H2,1-2H3,(H2,19,23)(H,21,24)(H,22,25)
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Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against thermolysin with 0.5 uM [Leu5]-enkephalin (NEN)


J Med Chem 38: 2119-29 (1995)


Article DOI: 10.1021/jm00012a011
BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50105264
PNG
(2-(2-Benzyl-3-hydroxycarbamoyl-propionylamino)-pro...)
Show SMILES C[C@H](NC(=O)[C@@H](CC(=O)NO)Cc1ccccc1)C([O-])=O
Show InChI InChI=1S/C14H18N2O5/c1-9(14(19)20)15-13(18)11(8-12(17)16-21)7-10-5-3-2-4-6-10/h2-6,9,11,21H,7-8H2,1H3,(H,15,18)(H,16,17)(H,19,20)/p-1/t9-,11+/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against thermolysin with 0.5 uM [Leu5]-enkephalin (NEN)


J Med Chem 38: 2119-29 (1995)


Article DOI: 10.1021/jm00012a011
BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50035251
PNG
(2-(2-Hydroxycarbamoyl-3-methyl-butyrylamino)-succi...)
Show SMILES CC(C)C(C(=O)NO)C(=O)NC(CC(N)=O)C(O)=O
Show InChI InChI=1S/C10H17N3O6/c1-4(2)7(9(16)13-19)8(15)12-5(10(17)18)3-6(11)14/h4-5,7,19H,3H2,1-2H3,(H2,11,14)(H,12,15)(H,13,16)(H,17,18)
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n/an/a 3n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human bronchiolar smooth muscle Endothelin-converting enzyme 1


J Med Chem 38: 2119-29 (1995)


Article DOI: 10.1021/jm00012a011
BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50035240
PNG
((2-Hydroxycarbamoyl-3-methyl-butyrylamino)-acetic ...)
Show SMILES CC(C)C(C(=O)NO)C(=O)NCC(O)=O
Show InChI InChI=1S/C8H14N2O5/c1-4(2)6(8(14)10-15)7(13)9-3-5(11)12/h4,6,15H,3H2,1-2H3,(H,9,13)(H,10,14)(H,11,12)
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n/an/a 3n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Leu-enkeph of Neutral endopeptidase


J Med Chem 38: 2119-29 (1995)


Article DOI: 10.1021/jm00012a011
BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50035239
PNG
(CHEMBL63317 | N-[1-Carbamoyl-2-(1H-indol-3-yl)-eth...)
Show SMILES CC(C)C(C(=O)NO)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C17H22N4O4/c1-9(2)14(17(24)21-25)16(23)20-13(15(18)22)7-10-8-19-12-6-4-3-5-11(10)12/h3-6,8-9,13-14,19,25H,7H2,1-2H3,(H2,18,22)(H,20,23)(H,21,24)
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n/an/a 3n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against big ET-1 of Neutral endopeptidase


J Med Chem 38: 2119-29 (1995)


Article DOI: 10.1021/jm00012a011
BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50035249
PNG
(CHEMBL303892 | N-[1-Carbamoyl-2-(1H-indol-3-yl)-et...)
Show SMILES CC(C)CC(C(=O)NO)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C18H24N4O4/c1-10(2)7-13(18(25)22-26)17(24)21-15(16(19)23)8-11-9-20-14-6-4-3-5-12(11)14/h3-6,9-10,13,15,20,26H,7-8H2,1-2H3,(H2,19,23)(H,21,24)(H,22,25)
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n/an/a 4.80n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human bronchiolar smooth muscle Endothelin-converting enzyme 1


J Med Chem 38: 2119-29 (1995)


Article DOI: 10.1021/jm00012a011
BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50035247
PNG
(2-(2-Hydroxycarbamoyl-3-methyl-butyrylamino)-3-(1H...)
Show SMILES CC(C)C(C(=O)NO)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C17H21N3O5/c1-9(2)14(16(22)20-25)15(21)19-13(17(23)24)7-10-8-18-12-6-4-3-5-11(10)12/h3-6,8-9,13-14,18,25H,7H2,1-2H3,(H,19,21)(H,20,22)(H,23,24)
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n/an/a 5n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against thermolysin with 0.5 uM [Leu5]-enkephalin (NEN)


J Med Chem 38: 2119-29 (1995)


Article DOI: 10.1021/jm00012a011
BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50035246
PNG
(2-(2-Hydroxycarbamoyl-4-methyl-pentanoylamino)-3-(...)
Show SMILES CC(C)CC(C(=O)NO)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C18H23N3O5/c1-10(2)7-13(17(23)21-26)16(22)20-15(18(24)25)8-11-9-19-14-6-4-3-5-12(11)14/h3-6,9-10,13,15,19,26H,7-8H2,1-2H3,(H,20,22)(H,21,23)(H,24,25)
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n/an/a 5n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against thermolysin with 0.5 uM [Leu5]-enkephalin (NEN)


J Med Chem 38: 2119-29 (1995)


Article DOI: 10.1021/jm00012a011
BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM21641
PNG
(2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...)
Show SMILES OC(=O)CNC(=O)C(CS)Cc1ccccc1
Show InChI InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)
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n/an/a 5n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Leu-enkeph of Neutral endopeptidase


J Med Chem 38: 2119-29 (1995)


Article DOI: 10.1021/jm00012a011
BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50251742
PNG
((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...)
Show SMILES CC(C)C[C@H](NP(O)(=O)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/t12-,16-,17-,18-,19+,20+,23-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Leu-enkeph of Neutral endopeptidase


J Med Chem 38: 2119-29 (1995)


Article DOI: 10.1021/jm00012a011
BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50035240
PNG
((2-Hydroxycarbamoyl-3-methyl-butyrylamino)-acetic ...)
Show SMILES CC(C)C(C(=O)NO)C(=O)NCC(O)=O
Show InChI InChI=1S/C8H14N2O5/c1-4(2)6(8(14)10-15)7(13)9-3-5(11)12/h4,6,15H,3H2,1-2H3,(H,9,13)(H,10,14)(H,11,12)
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n/an/a 6.80n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human bronchiolar smooth muscle Endothelin-converting enzyme 1


J Med Chem 38: 2119-29 (1995)


Article DOI: 10.1021/jm00012a011
BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50035249
PNG
(CHEMBL303892 | N-[1-Carbamoyl-2-(1H-indol-3-yl)-et...)
Show SMILES CC(C)CC(C(=O)NO)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C18H24N4O4/c1-10(2)7-13(18(25)22-26)17(24)21-15(16(19)23)8-11-9-20-14-6-4-3-5-12(11)14/h3-6,9-10,13,15,20,26H,7-8H2,1-2H3,(H2,19,23)(H,21,24)(H,22,25)
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n/an/a 7n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against big ET-1 of Neutral endopeptidase


J Med Chem 38: 2119-29 (1995)


Article DOI: 10.1021/jm00012a011
BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM21641
PNG
(2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...)
Show SMILES OC(=O)CNC(=O)C(CS)Cc1ccccc1
Show InChI InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)
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n/an/a 8n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human bronchiolar smooth muscle Endothelin-converting enzyme 1


J Med Chem 38: 2119-29 (1995)


Article DOI: 10.1021/jm00012a011
BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50105264
PNG
(2-(2-Benzyl-3-hydroxycarbamoyl-propionylamino)-pro...)
Show SMILES C[C@H](NC(=O)[C@@H](CC(=O)NO)Cc1ccccc1)C([O-])=O
Show InChI InChI=1S/C14H18N2O5/c1-9(14(19)20)15-13(18)11(8-12(17)16-21)7-10-5-3-2-4-6-10/h2-6,9,11,21H,7-8H2,1H3,(H,15,18)(H,16,17)(H,19,20)/p-1/t9-,11+/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human bronchiolar smooth muscle Endothelin-converting enzyme 1


J Med Chem 38: 2119-29 (1995)


Article DOI: 10.1021/jm00012a011
BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50105264
PNG
(2-(2-Benzyl-3-hydroxycarbamoyl-propionylamino)-pro...)
Show SMILES C[C@H](NC(=O)[C@@H](CC(=O)NO)Cc1ccccc1)C([O-])=O
Show InChI InChI=1S/C14H18N2O5/c1-9(14(19)20)15-13(18)11(8-12(17)16-21)7-10-5-3-2-4-6-10/h2-6,9,11,21H,7-8H2,1H3,(H,15,18)(H,16,17)(H,19,20)/p-1/t9-,11+/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against big ET-1 of Neutral endopeptidase


J Med Chem 38: 2119-29 (1995)


Article DOI: 10.1021/jm00012a011
BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50035240
PNG
((2-Hydroxycarbamoyl-3-methyl-butyrylamino)-acetic ...)
Show SMILES CC(C)C(C(=O)NO)C(=O)NCC(O)=O
Show InChI InChI=1S/C8H14N2O5/c1-4(2)6(8(14)10-15)7(13)9-3-5(11)12/h4,6,15H,3H2,1-2H3,(H,9,13)(H,10,14)(H,11,12)
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n/an/a 8n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against big ET-1 of Neutral endopeptidase


J Med Chem 38: 2119-29 (1995)


Article DOI: 10.1021/jm00012a011
BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50035239
PNG
(CHEMBL63317 | N-[1-Carbamoyl-2-(1H-indol-3-yl)-eth...)
Show SMILES CC(C)C(C(=O)NO)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C17H22N4O4/c1-9(2)14(17(24)21-25)16(23)20-13(15(18)22)7-10-8-19-12-6-4-3-5-11(10)12/h3-6,8-9,13-14,19,25H,7H2,1-2H3,(H2,18,22)(H,20,23)(H,21,24)
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n/an/a 9n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against thermolysin with 0.5 uM [Leu5]-enkephalin (NEN)


J Med Chem 38: 2119-29 (1995)


Article DOI: 10.1021/jm00012a011
BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50035235
PNG
(CHEMBL2372437 | N-[1-(Carbamoylmethyl-carbamoyl)-e...)
Show SMILES CC(C)C[C@H](C(=O)NO)C(=O)N[C@@H](C)C(=O)NCC(N)=O
Show InChI InChI=1S/C12H22N4O5/c1-6(2)4-8(12(20)16-21)11(19)15-7(3)10(18)14-5-9(13)17/h6-8,21H,4-5H2,1-3H3,(H2,13,17)(H,14,18)(H,15,19)(H,16,20)/t7-,8-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human bronchiolar smooth muscle Endothelin-converting enzyme 1


J Med Chem 38: 2119-29 (1995)


Article DOI: 10.1021/jm00012a011
BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50035237
PNG
(2-(2-Hydroxycarbamoylmethyl-3-methyl-butyrylamino)...)
Show SMILES CC(C)C(CC(=O)NO)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C18H23N3O5/c1-10(2)13(8-16(22)21-26)17(23)20-15(18(24)25)7-11-9-19-14-6-4-3-5-12(11)14/h3-6,9-10,13,15,19,26H,7-8H2,1-2H3,(H,20,23)(H,21,22)(H,24,25)
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n/an/a 17n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human bronchiolar smooth muscle Endothelin-converting enzyme 1


J Med Chem 38: 2119-29 (1995)


Article DOI: 10.1021/jm00012a011
BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50035237
PNG
(2-(2-Hydroxycarbamoylmethyl-3-methyl-butyrylamino)...)
Show SMILES CC(C)C(CC(=O)NO)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C18H23N3O5/c1-10(2)13(8-16(22)21-26)17(23)20-15(18(24)25)7-11-9-19-14-6-4-3-5-12(11)14/h3-6,9-10,13,15,19,26H,7-8H2,1-2H3,(H,20,23)(H,21,22)(H,24,25)
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n/an/a 17n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human bronchiolar smooth muscle Endothelin-converting enzyme 1


J Med Chem 38: 2119-29 (1995)


Article DOI: 10.1021/jm00012a011
BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50035237
PNG
(2-(2-Hydroxycarbamoylmethyl-3-methyl-butyrylamino)...)
Show SMILES CC(C)C(CC(=O)NO)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C18H23N3O5/c1-10(2)13(8-16(22)21-26)17(23)20-15(18(24)25)7-11-9-19-14-6-4-3-5-12(11)14/h3-6,9-10,13,15,19,26H,7-8H2,1-2H3,(H,20,23)(H,21,22)(H,24,25)
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n/an/a 18n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Leu-enkeph of Neutral endopeptidase


J Med Chem 38: 2119-29 (1995)


Article DOI: 10.1021/jm00012a011
BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM21641
PNG
(2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...)
Show SMILES OC(=O)CNC(=O)C(CS)Cc1ccccc1
Show InChI InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)
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n/an/a 20n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against big ET-1 of Neutral endopeptidase


J Med Chem 38: 2119-29 (1995)


Article DOI: 10.1021/jm00012a011
BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50035251
PNG
(2-(2-Hydroxycarbamoyl-3-methyl-butyrylamino)-succi...)
Show SMILES CC(C)C(C(=O)NO)C(=O)NC(CC(N)=O)C(O)=O
Show InChI InChI=1S/C10H17N3O6/c1-4(2)7(9(16)13-19)8(15)12-5(10(17)18)3-6(11)14/h4-5,7,19H,3H2,1-2H3,(H2,11,14)(H,12,15)(H,13,16)(H,17,18)
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n/an/a 20n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against big ET-1 of Neutral endopeptidase


J Med Chem 38: 2119-29 (1995)


Article DOI: 10.1021/jm00012a011
BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50035250
PNG
(3-(2-Hydroxycarbamoylmethyl-3-methyl-butyrylamino)...)
Show SMILES CC(C)C(CC(=O)NO)C(=O)NCCC(O)=O
Show InChI InChI=1S/C10H18N2O5/c1-6(2)7(5-8(13)12-17)10(16)11-4-3-9(14)15/h6-7,17H,3-5H2,1-2H3,(H,11,16)(H,12,13)(H,14,15)
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n/an/a 30n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Leu-enkeph of Neutral endopeptidase


J Med Chem 38: 2119-29 (1995)


Article DOI: 10.1021/jm00012a011
BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50035237
PNG
(2-(2-Hydroxycarbamoylmethyl-3-methyl-butyrylamino)...)
Show SMILES CC(C)C(CC(=O)NO)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C18H23N3O5/c1-10(2)13(8-16(22)21-26)17(23)20-15(18(24)25)7-11-9-19-14-6-4-3-5-12(11)14/h3-6,9-10,13,15,19,26H,7-8H2,1-2H3,(H,20,23)(H,21,22)(H,24,25)
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n/an/a 30n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against big ET-1 of Neutral endopeptidase


J Med Chem 38: 2119-29 (1995)


Article DOI: 10.1021/jm00012a011
BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50251742
PNG
((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...)
Show SMILES CC(C)C[C@H](NP(O)(=O)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/t12-,16-,17-,18-,19+,20+,23-/m0/s1
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n/an/a 33n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against thermolysin with 0.5 uM [Leu5]-enkephalin (NEN)


J Med Chem 38: 2119-29 (1995)


Article DOI: 10.1021/jm00012a011
BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50035235
PNG
(CHEMBL2372437 | N-[1-(Carbamoylmethyl-carbamoyl)-e...)
Show SMILES CC(C)C[C@H](C(=O)NO)C(=O)N[C@@H](C)C(=O)NCC(N)=O
Show InChI InChI=1S/C12H22N4O5/c1-6(2)4-8(12(20)16-21)11(19)15-7(3)10(18)14-5-9(13)17/h6-8,21H,4-5H2,1-3H3,(H2,13,17)(H,14,18)(H,15,19)(H,16,20)/t7-,8-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against big ET-1 of Neutral endopeptidase


J Med Chem 38: 2119-29 (1995)


Article DOI: 10.1021/jm00012a011
BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50035243
PNG
(2-(2-Hydroxycarbamoylmethyl-3-methyl-butyrylamino)...)
Show SMILES CC(C)C(CC(=O)NO)C(=O)NC(CC(N)=O)C(O)=O
Show InChI InChI=1S/C11H19N3O6/c1-5(2)6(3-9(16)14-20)10(17)13-7(11(18)19)4-8(12)15/h5-7,20H,3-4H2,1-2H3,(H2,12,15)(H,13,17)(H,14,16)(H,18,19)
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n/an/a 150n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human bronchiolar smooth muscle Endothelin-converting enzyme 1


J Med Chem 38: 2119-29 (1995)


Article DOI: 10.1021/jm00012a011
BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50035243
PNG
(2-(2-Hydroxycarbamoylmethyl-3-methyl-butyrylamino)...)
Show SMILES CC(C)C(CC(=O)NO)C(=O)NC(CC(N)=O)C(O)=O
Show InChI InChI=1S/C11H19N3O6/c1-5(2)6(3-9(16)14-20)10(17)13-7(11(18)19)4-8(12)15/h5-7,20H,3-4H2,1-2H3,(H2,12,15)(H,13,17)(H,14,16)(H,18,19)
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n/an/a 170n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Leu-enkeph of Neutral endopeptidase


J Med Chem 38: 2119-29 (1995)


Article DOI: 10.1021/jm00012a011
BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50035235
PNG
(CHEMBL2372437 | N-[1-(Carbamoylmethyl-carbamoyl)-e...)
Show SMILES CC(C)C[C@H](C(=O)NO)C(=O)N[C@@H](C)C(=O)NCC(N)=O
Show InChI InChI=1S/C12H22N4O5/c1-6(2)4-8(12(20)16-21)11(19)15-7(3)10(18)14-5-9(13)17/h6-8,21H,4-5H2,1-3H3,(H2,13,17)(H,14,18)(H,15,19)(H,16,20)/t7-,8-/m0/s1
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n/an/a 175n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against thermolysin with 0.5 uM [Leu5]-enkephalin (NEN)


J Med Chem 38: 2119-29 (1995)


Article DOI: 10.1021/jm00012a011
BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50035250
PNG
(3-(2-Hydroxycarbamoylmethyl-3-methyl-butyrylamino)...)
Show SMILES CC(C)C(CC(=O)NO)C(=O)NCCC(O)=O
Show InChI InChI=1S/C10H18N2O5/c1-6(2)7(5-8(13)12-17)10(16)11-4-3-9(14)15/h6-7,17H,3-5H2,1-2H3,(H,11,16)(H,12,13)(H,14,15)
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n/an/a 190n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human bronchiolar smooth muscle Endothelin-converting enzyme 1


J Med Chem 38: 2119-29 (1995)


Article DOI: 10.1021/jm00012a011
BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50035250
PNG
(3-(2-Hydroxycarbamoylmethyl-3-methyl-butyrylamino)...)
Show SMILES CC(C)C(CC(=O)NO)C(=O)NCCC(O)=O
Show InChI InChI=1S/C10H18N2O5/c1-6(2)7(5-8(13)12-17)10(16)11-4-3-9(14)15/h6-7,17H,3-5H2,1-2H3,(H,11,16)(H,12,13)(H,14,15)
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n/an/a 270n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against big ET-1 of Neutral endopeptidase


J Med Chem 38: 2119-29 (1995)


Article DOI: 10.1021/jm00012a011
BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50035244
PNG
(2-(2-Hydroxyaminomethyl-3-methyl-butyrylamino)-3-(...)
Show SMILES CC(C)C(CNO)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C17H23N3O4/c1-10(2)13(9-19-24)16(21)20-15(17(22)23)7-11-8-18-14-6-4-3-5-12(11)14/h3-6,8,10,13,15,18-19,24H,7,9H2,1-2H3,(H,20,21)(H,22,23)
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n/an/a 500n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human bronchiolar smooth muscle Endothelin-converting enzyme 1


J Med Chem 38: 2119-29 (1995)


Article DOI: 10.1021/jm00012a011
BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair
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