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Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with all data for entry = 50001612   
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


(Oryctolagus cuniculus (rabbit))		BDBM50016767
PNG
(2-[1-(2-Carboxy-2-hydroxy-ethylcarbamoyl)-2-phenyl...)
Show SMILES O[C@@H](CNC(=O)[C@H](Cc1ccccc1)N[C@@H](CCc1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C22H26N2O6/c25-19(22(29)30)14-23-20(26)18(13-16-9-5-2-6-10-16)24-17(21(27)28)12-11-15-7-3-1-4-8-15/h1-10,17-19,24-25H,11-14H2,(H,23,26)(H,27,28)(H,29,30)/t17-,18-,19-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Schering-Plough Research

Curated by ChEMBL


Assay Description
Compound was evaluated for the ability to inhibit Angiotensin I converting enzyme in rat

J Med Chem 32: 737-9 (1989)


BindingDB Entry DOI: 10.7270/Q2BV7FMF
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))		BDBM50016767
PNG
(2-[1-(2-Carboxy-2-hydroxy-ethylcarbamoyl)-2-phenyl...)
Show SMILES O[C@@H](CNC(=O)[C@H](Cc1ccccc1)N[C@@H](CCc1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C22H26N2O6/c25-19(22(29)30)14-23-20(26)18(13-16-9-5-2-6-10-16)24-17(21(27)28)12-11-15-7-3-1-4-8-15/h1-10,17-19,24-25H,11-14H2,(H,23,26)(H,27,28)(H,29,30)/t17-,18-,19-/m0/s1
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Schering-Plough Research

Curated by ChEMBL


Assay Description
Compound was evaluated for the ability to inhibit neutral endopeptidase purified from rabbit kidney

J Med Chem 32: 737-9 (1989)


BindingDB Entry DOI: 10.7270/Q2BV7FMF
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))		BDBM50016766
PNG
(2-[1-(2-Carboxy-2-hydroxy-ethylcarbamoyl)-2-phenyl...)
Show SMILES O[C@@H](CNC(=O)[C@H](Cc1ccccc1)N[C@@H](Cc1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C21H24N2O6/c24-18(21(28)29)13-22-19(25)16(11-14-7-3-1-4-8-14)23-17(20(26)27)12-15-9-5-2-6-10-15/h1-10,16-18,23-24H,11-13H2,(H,22,25)(H,26,27)(H,28,29)/t16-,17-,18-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Schering-Plough Research

Curated by ChEMBL


Assay Description
Compound was evaluated for the ability to inhibit neutral endopeptidase purified from rabbit kidney

J Med Chem 32: 737-9 (1989)


BindingDB Entry DOI: 10.7270/Q2BV7FMF
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))		BDBM50016769
PNG
(2-[1-(2-Carboxy-ethylcarbamoyl)-2-phenyl-ethylamin...)
Show SMILES OC(=O)CCNC(=O)[C@H](Cc1ccccc1)N[C@@H](CCc1ccccc1)C(O)=O
Show InChI InChI=1S/C22H26N2O5/c25-20(26)13-14-23-21(27)19(15-17-9-5-2-6-10-17)24-18(22(28)29)12-11-16-7-3-1-4-8-16/h1-10,18-19,24H,11-15H2,(H,23,27)(H,25,26)(H,28,29)/t18-,19-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Schering-Plough Research

Curated by ChEMBL


Assay Description
Compound was evaluated for the ability to inhibit neutral endopeptidase purified from rabbit kidney

J Med Chem 32: 737-9 (1989)


BindingDB Entry DOI: 10.7270/Q2BV7FMF
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))		BDBM50016765
PNG
(2-[1-(2-Carboxy-ethylcarbamoyl)-2-phenyl-ethylamin...)
Show SMILES OC(=O)CCNC(=O)[C@H](Cc1ccccc1)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C21H24N2O5/c24-19(25)11-12-22-20(26)17(13-15-7-3-1-4-8-15)23-18(21(27)28)14-16-9-5-2-6-10-16/h1-10,17-18,23H,11-14H2,(H,22,26)(H,24,25)(H,27,28)/t17-,18-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Schering-Plough Research

Curated by ChEMBL


Assay Description
Compound was evaluated for the ability to inhibit neutral endopeptidase purified from rabbit kidney

J Med Chem 32: 737-9 (1989)


BindingDB Entry DOI: 10.7270/Q2BV7FMF
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))		BDBM50016768
PNG
(2-[1-(2-Carboxy-2-hydroxy-ethylcarbamoyl)-2-phenyl...)
Show SMILES O[C@H](CNC(=O)[C@H](Cc1ccccc1)N[C@@H](CCc1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C22H26N2O6/c25-19(22(29)30)14-23-20(26)18(13-16-9-5-2-6-10-16)24-17(21(27)28)12-11-15-7-3-1-4-8-15/h1-10,17-19,24-25H,11-14H2,(H,23,26)(H,27,28)(H,29,30)/t17-,18-,19+/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Schering-Plough Research

Curated by ChEMBL


Assay Description
Compound was evaluated for the ability to inhibit neutral endopeptidase purified from rabbit kidney

J Med Chem 32: 737-9 (1989)


BindingDB Entry DOI: 10.7270/Q2BV7FMF
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)		BDBM50016764
PNG
(2-[1-(1-Carboxy-2-hydroxy-ethylcarbamoyl)-2-phenyl...)
Show SMILES OC[C@H](NC(=O)[C@H](Cc1ccccc1)N[C@@H](CCc1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C22H26N2O6/c25-14-19(22(29)30)24-20(26)18(13-16-9-5-2-6-10-16)23-17(21(27)28)12-11-15-7-3-1-4-8-15/h1-10,17-19,23,25H,11-14H2,(H,24,26)(H,27,28)(H,29,30)/t17-,18-,19-/m0/s1
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n/an/a 320n/an/an/an/an/an/a



Schering-Plough Research

Curated by ChEMBL


Assay Description
Compound was evaluated for the ability to inhibit Angiotensin I converting enzyme in rat

J Med Chem 32: 737-9 (1989)


BindingDB Entry DOI: 10.7270/Q2BV7FMF
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))		BDBM50016764
PNG
(2-[1-(1-Carboxy-2-hydroxy-ethylcarbamoyl)-2-phenyl...)
Show SMILES OC[C@H](NC(=O)[C@H](Cc1ccccc1)N[C@@H](CCc1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C22H26N2O6/c25-14-19(22(29)30)24-20(26)18(13-16-9-5-2-6-10-16)23-17(21(27)28)12-11-15-7-3-1-4-8-15/h1-10,17-19,23,25H,11-14H2,(H,24,26)(H,27,28)(H,29,30)/t17-,18-,19-/m0/s1
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n/an/a 393n/an/an/an/an/an/a



Schering-Plough Research

Curated by ChEMBL


Assay Description
Compound was evaluated for the ability to inhibit neutral endopeptidase purified from rabbit kidney

J Med Chem 32: 737-9 (1989)


BindingDB Entry DOI: 10.7270/Q2BV7FMF
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)		BDBM50016768
PNG
(2-[1-(2-Carboxy-2-hydroxy-ethylcarbamoyl)-2-phenyl...)
Show SMILES O[C@H](CNC(=O)[C@H](Cc1ccccc1)N[C@@H](CCc1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C22H26N2O6/c25-19(22(29)30)14-23-20(26)18(13-16-9-5-2-6-10-16)24-17(21(27)28)12-11-15-7-3-1-4-8-15/h1-10,17-19,24-25H,11-14H2,(H,23,26)(H,27,28)(H,29,30)/t17-,18-,19+/m0/s1
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n/an/a 640n/an/an/an/an/an/a



Schering-Plough Research

Curated by ChEMBL


Assay Description
Compound was evaluated for the ability to inhibit Angiotensin I converting enzyme in rat

J Med Chem 32: 737-9 (1989)


BindingDB Entry DOI: 10.7270/Q2BV7FMF
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)		BDBM50016769
PNG
(2-[1-(2-Carboxy-ethylcarbamoyl)-2-phenyl-ethylamin...)
Show SMILES OC(=O)CCNC(=O)[C@H](Cc1ccccc1)N[C@@H](CCc1ccccc1)C(O)=O
Show InChI InChI=1S/C22H26N2O5/c25-20(26)13-14-23-21(27)19(15-17-9-5-2-6-10-17)24-18(22(28)29)12-11-16-7-3-1-4-8-16/h1-10,18-19,24H,11-15H2,(H,23,27)(H,25,26)(H,28,29)/t18-,19-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Schering-Plough Research

Curated by ChEMBL


Assay Description
Compound was evaluated for the ability to inhibit Angiotensin I converting enzyme in rat

J Med Chem 32: 737-9 (1989)


BindingDB Entry DOI: 10.7270/Q2BV7FMF
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)		BDBM50016767
PNG
(2-[1-(2-Carboxy-2-hydroxy-ethylcarbamoyl)-2-phenyl...)
Show SMILES O[C@@H](CNC(=O)[C@H](Cc1ccccc1)N[C@@H](CCc1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C22H26N2O6/c25-19(22(29)30)14-23-20(26)18(13-16-9-5-2-6-10-16)24-17(21(27)28)12-11-15-7-3-1-4-8-15/h1-10,17-19,24-25H,11-14H2,(H,23,26)(H,27,28)(H,29,30)/t17-,18-,19-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Schering-Plough Research

Curated by ChEMBL


Assay Description
Compound was evaluated for the ability to inhibit Angiotensin I converting enzyme in rat

J Med Chem 32: 737-9 (1989)


BindingDB Entry DOI: 10.7270/Q2BV7FMF
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)		BDBM50016767
PNG
(2-[1-(2-Carboxy-2-hydroxy-ethylcarbamoyl)-2-phenyl...)
Show SMILES O[C@@H](CNC(=O)[C@H](Cc1ccccc1)N[C@@H](CCc1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C22H26N2O6/c25-19(22(29)30)14-23-20(26)18(13-16-9-5-2-6-10-16)24-17(21(27)28)12-11-15-7-3-1-4-8-15/h1-10,17-19,24-25H,11-14H2,(H,23,26)(H,27,28)(H,29,30)/t17-,18-,19-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Schering-Plough Research

Curated by ChEMBL


Assay Description
Compound was evaluated for the ability to inhibit Angiotensin I converting enzyme in rat

J Med Chem 32: 737-9 (1989)


BindingDB Entry DOI: 10.7270/Q2BV7FMF
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)		BDBM50016766
PNG
(2-[1-(2-Carboxy-2-hydroxy-ethylcarbamoyl)-2-phenyl...)
Show SMILES O[C@@H](CNC(=O)[C@H](Cc1ccccc1)N[C@@H](Cc1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C21H24N2O6/c24-18(21(28)29)13-22-19(25)16(11-14-7-3-1-4-8-14)23-17(20(26)27)12-15-9-5-2-6-10-15/h1-10,16-18,23-24H,11-13H2,(H,22,25)(H,26,27)(H,28,29)/t16-,17-,18-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Schering-Plough Research

Curated by ChEMBL


Assay Description
Compound was evaluated for the ability to inhibit Angiotensin I converting enzyme in rat

J Med Chem 32: 737-9 (1989)


BindingDB Entry DOI: 10.7270/Q2BV7FMF
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)		BDBM50016765
PNG
(2-[1-(2-Carboxy-ethylcarbamoyl)-2-phenyl-ethylamin...)
Show SMILES OC(=O)CCNC(=O)[C@H](Cc1ccccc1)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C21H24N2O5/c24-19(25)11-12-22-20(26)17(13-15-7-3-1-4-8-15)23-18(21(27)28)14-16-9-5-2-6-10-16/h1-10,17-18,23H,11-14H2,(H,22,26)(H,24,25)(H,27,28)/t17-,18-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Schering-Plough Research

Curated by ChEMBL


Assay Description
Compound was evaluated for the ability to inhibit Angiotensin I converting enzyme in rat

J Med Chem 32: 737-9 (1989)


BindingDB Entry DOI: 10.7270/Q2BV7FMF
More data for this
Ligand-Target Pair