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PubMed code 10698448

Compile data set for download or QSAR
Found 24 hits of Enzyme Inhibition Constant Data   
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


(Rattus norvegicus (Rat))		BDBM50085454
PNG
(CHEMBL90388 | N-formyl hydroxylamine containing di...)
Show SMILES ON(C[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCc2ccccc2N(CC(O)=O)C1=O)C=O
Show InChI InChI=1S/C23H25N3O6/c27-15-25(32)13-18(12-16-6-2-1-3-7-16)22(30)24-19-11-10-17-8-4-5-9-20(17)26(23(19)31)14-21(28)29/h1-9,15,18-19,32H,10-14H2,(H,24,30)(H,28,29)/t18-,19+/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Neutral endopeptidase

Bioorg Med Chem Lett 10: 257-60 (2000)


BindingDB Entry DOI: 10.7270/Q2BK1BJ8
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))		BDBM50085460
PNG
((4S,7S,12bR)-7-[(R)-2-Benzyl-3-(formyl-hydroxy-ami...)
Show SMILES ON(C[C@@H](Cc1ccccc1)C(=O)N[C@H]1Cc2ccccc2[C@H]2CCC[C@H](N2C1=O)C(O)=O)C=O
Show InChI InChI=1S/C26H29N3O6/c30-16-28(35)15-19(13-17-7-2-1-3-8-17)24(31)27-21-14-18-9-4-5-10-20(18)22-11-6-12-23(26(33)34)29(22)25(21)32/h1-5,7-10,16,19,21-23,35H,6,11-15H2,(H,27,31)(H,33,34)/t19-,21+,22-,23+/m1/s1
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n/an/a 1.80n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Neutral endopeptidase

Bioorg Med Chem Lett 10: 257-60 (2000)


BindingDB Entry DOI: 10.7270/Q2BK1BJ8
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))		BDBM50085459
PNG
((S)-3-Biphenyl-4-yl-2-[(S)-3-methyl-2-(phosphonome...)
Show SMILES CC(C)[C@H](NCP(O)(O)=O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C21H27N2O6P/c1-14(2)19(22-13-30(27,28)29)20(24)23-18(21(25)26)12-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,14,18-19,22H,12-13H2,1-2H3,(H,23,24)(H,25,26)(H2,27,28,29)/t18-,19-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Neutral endopeptidase

Bioorg Med Chem Lett 10: 257-60 (2000)


BindingDB Entry DOI: 10.7270/Q2BK1BJ8
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50085460
PNG
((4S,7S,12bR)-7-[(R)-2-Benzyl-3-(formyl-hydroxy-ami...)
Show SMILES ON(C[C@@H](Cc1ccccc1)C(=O)N[C@H]1Cc2ccccc2[C@H]2CCC[C@H](N2C1=O)C(O)=O)C=O
Show InChI InChI=1S/C26H29N3O6/c30-16-28(35)15-19(13-17-7-2-1-3-8-17)24(31)27-21-14-18-9-4-5-10-20(18)22-11-6-12-23(26(33)34)29(22)25(21)32/h1-5,7-10,16,19,21-23,35H,6,11-15H2,(H,27,31)(H,33,34)/t19-,21+,22-,23+/m1/s1
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n/an/a 3.40n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme

Bioorg Med Chem Lett 10: 257-60 (2000)


BindingDB Entry DOI: 10.7270/Q2BK1BJ8
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50085454
PNG
(CHEMBL90388 | N-formyl hydroxylamine containing di...)
Show SMILES ON(C[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCc2ccccc2N(CC(O)=O)C1=O)C=O
Show InChI InChI=1S/C23H25N3O6/c27-15-25(32)13-18(12-16-6-2-1-3-7-16)22(30)24-19-11-10-17-8-4-5-9-20(17)26(23(19)31)14-21(28)29/h1-9,15,18-19,32H,10-14H2,(H,24,30)(H,28,29)/t18-,19+/m1/s1
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n/an/a 5.30n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme

Bioorg Med Chem Lett 10: 257-60 (2000)


BindingDB Entry DOI: 10.7270/Q2BK1BJ8
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50085457
PNG
(CHEMBL89533 | {(S)-6-[(R)-2-Benzyl-3-(formyl-hydro...)
Show SMILES CC1(C)CCC[C@H](NC(=O)[C@@H](CN(O)C=O)Cc2ccccc2)C(=O)N1CC(O)=O
Show InChI InChI=1S/C21H29N3O6/c1-21(2)10-6-9-17(20(29)24(21)13-18(26)27)22-19(28)16(12-23(30)14-25)11-15-7-4-3-5-8-15/h3-5,7-8,14,16-17,30H,6,9-13H2,1-2H3,(H,22,28)(H,26,27)/t16-,17+/m1/s1
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n/an/a 5.40n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme

Bioorg Med Chem Lett 10: 257-60 (2000)


BindingDB Entry DOI: 10.7270/Q2BK1BJ8
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50073120
PNG
((4S,6S,9aS)-6-((S)-2-Mercapto-3-phenyl-propionylam...)
Show SMILES OC(=O)[C@@H]1CCC[C@@H]2SCC[C@H](NC(=O)[C@@H](S)Cc3ccccc3)C(=O)N12 |r|
Show InChI InChI=1S/C19H24N2O4S2/c22-17(15(26)11-12-5-2-1-3-6-12)20-13-9-10-27-16-8-4-7-14(19(24)25)21(16)18(13)23/h1-3,5-6,13-16,26H,4,7-11H2,(H,20,22)(H,24,25)/t13-,14-,15-,16-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme

Bioorg Med Chem Lett 10: 257-60 (2000)


BindingDB Entry DOI: 10.7270/Q2BK1BJ8
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50085452
PNG
((S)-2-[((S)-6-Amino-2-methanesulfonylamino-hexanoy...)
Show SMILES CS(=O)(=O)N[C@@H](CCCCN)C(=O)NC[C@H](CC1(CCCC1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C26H40N4O9S/c1-40(38,39)30-20(6-2-5-13-27)22(32)28-16-18(23(33)34)15-26(11-3-4-12-26)25(37)29-21(24(35)36)14-17-7-9-19(31)10-8-17/h7-10,18,20-21,30-31H,2-6,11-16,27H2,1H3,(H,28,32)(H,29,37)(H,33,34)(H,35,36)/t18-,20-,21-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme

Bioorg Med Chem Lett 10: 257-60 (2000)


BindingDB Entry DOI: 10.7270/Q2BK1BJ8
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))		BDBM50073120
PNG
((4S,6S,9aS)-6-((S)-2-Mercapto-3-phenyl-propionylam...)
Show SMILES OC(=O)[C@@H]1CCC[C@@H]2SCC[C@H](NC(=O)[C@@H](S)Cc3ccccc3)C(=O)N12 |r|
Show InChI InChI=1S/C19H24N2O4S2/c22-17(15(26)11-12-5-2-1-3-6-12)20-13-9-10-27-16-8-4-7-14(19(24)25)21(16)18(13)23/h1-3,5-6,13-16,26H,4,7-11H2,(H,20,22)(H,24,25)/t13-,14-,15-,16-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Neutral endopeptidase

Bioorg Med Chem Lett 10: 257-60 (2000)


BindingDB Entry DOI: 10.7270/Q2BK1BJ8
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Neprilysin


(Rattus norvegicus (Rat))		BDBM50085457
PNG
(CHEMBL89533 | {(S)-6-[(R)-2-Benzyl-3-(formyl-hydro...)
Show SMILES CC1(C)CCC[C@H](NC(=O)[C@@H](CN(O)C=O)Cc2ccccc2)C(=O)N1CC(O)=O
Show InChI InChI=1S/C21H29N3O6/c1-21(2)10-6-9-17(20(29)24(21)13-18(26)27)22-19(28)16(12-23(30)14-25)11-15-7-4-3-5-8-15/h3-5,7-8,14,16-17,30H,6,9-13H2,1-2H3,(H,22,28)(H,26,27)/t16-,17+/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Neutral endopeptidase

Bioorg Med Chem Lett 10: 257-60 (2000)


BindingDB Entry DOI: 10.7270/Q2BK1BJ8
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))		BDBM50085452
PNG
((S)-2-[((S)-6-Amino-2-methanesulfonylamino-hexanoy...)
Show SMILES CS(=O)(=O)N[C@@H](CCCCN)C(=O)NC[C@H](CC1(CCCC1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C26H40N4O9S/c1-40(38,39)30-20(6-2-5-13-27)22(32)28-16-18(23(33)34)15-26(11-3-4-12-26)25(37)29-21(24(35)36)14-17-7-9-19(31)10-8-17/h7-10,18,20-21,30-31H,2-6,11-16,27H2,1H3,(H,28,32)(H,29,37)(H,33,34)(H,35,36)/t18-,20-,21-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Neutral endopeptidase

Bioorg Med Chem Lett 10: 257-60 (2000)


BindingDB Entry DOI: 10.7270/Q2BK1BJ8
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50085459
PNG
((S)-3-Biphenyl-4-yl-2-[(S)-3-methyl-2-(phosphonome...)
Show SMILES CC(C)[C@H](NCP(O)(O)=O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C21H27N2O6P/c1-14(2)19(22-13-30(27,28)29)20(24)23-18(21(25)26)12-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,14,18-19,22H,12-13H2,1-2H3,(H,23,24)(H,25,26)(H2,27,28,29)/t18-,19-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme

Bioorg Med Chem Lett 10: 257-60 (2000)


BindingDB Entry DOI: 10.7270/Q2BK1BJ8
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50085461
PNG
((S)-2-{(S)-2-[2-Benzyl-3-(formyl-hydroxy-amino)-pr...)
Show SMILES CC(C)C[C@H](NC(=O)C(CN(O)C=O)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C26H33N3O6/c1-18(2)13-22(25(32)28-23(26(33)34)15-20-11-7-4-8-12-20)27-24(31)21(16-29(35)17-30)14-19-9-5-3-6-10-19/h3-12,17-18,21-23,35H,13-16H2,1-2H3,(H,27,31)(H,28,32)(H,33,34)/t21?,22-,23-/m0/s1
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n/an/a 106n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme

Bioorg Med Chem Lett 10: 257-60 (2000)


BindingDB Entry DOI: 10.7270/Q2BK1BJ8
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))		BDBM50085455
PNG
(CHEMBL89760 | {(S)-7-[(R)-2-Benzyl-3-(formyl-hydro...)
Show SMILES ON(C[C@@H](Cc1ccccc1)C(=O)N[C@H]1COc2ccccc2N(CC(O)=O)C1=O)C=O
Show InChI InChI=1S/C22H23N3O7/c26-14-24(31)11-16(10-15-6-2-1-3-7-15)21(29)23-17-13-32-19-9-5-4-8-18(19)25(22(17)30)12-20(27)28/h1-9,14,16-17,31H,10-13H2,(H,23,29)(H,27,28)/t16-,17+/m1/s1
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n/an/a 290n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Neutral endopeptidase

Bioorg Med Chem Lett 10: 257-60 (2000)


BindingDB Entry DOI: 10.7270/Q2BK1BJ8
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))		BDBM50085455
PNG
(CHEMBL89760 | {(S)-7-[(R)-2-Benzyl-3-(formyl-hydro...)
Show SMILES ON(C[C@@H](Cc1ccccc1)C(=O)N[C@H]1COc2ccccc2N(CC(O)=O)C1=O)C=O
Show InChI InChI=1S/C22H23N3O7/c26-14-24(31)11-16(10-15-6-2-1-3-7-15)21(29)23-17-13-32-19-9-5-4-8-18(19)25(22(17)30)12-20(27)28/h1-9,14,16-17,31H,10-13H2,(H,23,29)(H,27,28)/t16-,17+/m1/s1
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n/an/a 290n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Neutral endopeptidase

Bioorg Med Chem Lett 10: 257-60 (2000)


BindingDB Entry DOI: 10.7270/Q2BK1BJ8
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))		BDBM50085461
PNG
((S)-2-{(S)-2-[2-Benzyl-3-(formyl-hydroxy-amino)-pr...)
Show SMILES CC(C)C[C@H](NC(=O)C(CN(O)C=O)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C26H33N3O6/c1-18(2)13-22(25(32)28-23(26(33)34)15-20-11-7-4-8-12-20)27-24(31)21(16-29(35)17-30)14-19-9-5-3-6-10-19/h3-12,17-18,21-23,35H,13-16H2,1-2H3,(H,27,31)(H,28,32)(H,33,34)/t21?,22-,23-/m0/s1
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n/an/a 1.27E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Neutral endopeptidase

Bioorg Med Chem Lett 10: 257-60 (2000)


BindingDB Entry DOI: 10.7270/Q2BK1BJ8
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))		BDBM50085453
PNG
((S)-2-{(S)-2-[2-(Formyl-hydroxy-amino)-3-phenyl-pr...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)N(O)C=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C25H31N3O6/c1-17(2)13-20(23(30)27-21(25(32)33)14-18-9-5-3-6-10-18)26-24(31)22(28(34)16-29)15-19-11-7-4-8-12-19/h3-12,16-17,20-22,34H,13-15H2,1-2H3,(H,26,31)(H,27,30)(H,32,33)/t20-,21-,22-/m0/s1
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n/an/a 9.30E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Neutral endopeptidase

Bioorg Med Chem Lett 10: 257-60 (2000)


BindingDB Entry DOI: 10.7270/Q2BK1BJ8
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50085455
PNG
(CHEMBL89760 | {(S)-7-[(R)-2-Benzyl-3-(formyl-hydro...)
Show SMILES ON(C[C@@H](Cc1ccccc1)C(=O)N[C@H]1COc2ccccc2N(CC(O)=O)C1=O)C=O
Show InChI InChI=1S/C22H23N3O7/c26-14-24(31)11-16(10-15-6-2-1-3-7-15)21(29)23-17-13-32-19-9-5-4-8-18(19)25(22(17)30)12-20(27)28/h1-9,14,16-17,31H,10-13H2,(H,23,29)(H,27,28)/t16-,17+/m1/s1
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n/an/a 2.10E+5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme

Bioorg Med Chem Lett 10: 257-60 (2000)


BindingDB Entry DOI: 10.7270/Q2BK1BJ8
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50085455
PNG
(CHEMBL89760 | {(S)-7-[(R)-2-Benzyl-3-(formyl-hydro...)
Show SMILES ON(C[C@@H](Cc1ccccc1)C(=O)N[C@H]1COc2ccccc2N(CC(O)=O)C1=O)C=O
Show InChI InChI=1S/C22H23N3O7/c26-14-24(31)11-16(10-15-6-2-1-3-7-15)21(29)23-17-13-32-19-9-5-4-8-18(19)25(22(17)30)12-20(27)28/h1-9,14,16-17,31H,10-13H2,(H,23,29)(H,27,28)/t16-,17+/m1/s1
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n/an/a 2.10E+5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme

Bioorg Med Chem Lett 10: 257-60 (2000)


BindingDB Entry DOI: 10.7270/Q2BK1BJ8
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))		BDBM50085458
PNG
((S)-2-{(S)-2-[3-(Acetyl-hydroxy-amino)-2-benzyl-pr...)
Show SMILES CC(C)C[C@H](NC(=O)C(CN(O)C(C)=O)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C27H35N3O6/c1-18(2)14-23(26(33)29-24(27(34)35)16-21-12-8-5-9-13-21)28-25(32)22(17-30(36)19(3)31)15-20-10-6-4-7-11-20/h4-13,18,22-24,36H,14-17H2,1-3H3,(H,28,32)(H,29,33)(H,34,35)/t22?,23-,24-/m0/s1
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n/an/a 2.14E+5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Neutral endopeptidase

Bioorg Med Chem Lett 10: 257-60 (2000)


BindingDB Entry DOI: 10.7270/Q2BK1BJ8
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50085453
PNG
((S)-2-{(S)-2-[2-(Formyl-hydroxy-amino)-3-phenyl-pr...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)N(O)C=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C25H31N3O6/c1-17(2)13-20(23(30)27-21(25(32)33)14-18-9-5-3-6-10-18)26-24(31)22(28(34)16-29)15-19-11-7-4-8-12-19/h3-12,16-17,20-22,34H,13-15H2,1-2H3,(H,26,31)(H,27,30)(H,32,33)/t20-,21-,22-/m0/s1
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n/an/a 2.28E+5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme

Bioorg Med Chem Lett 10: 257-60 (2000)


BindingDB Entry DOI: 10.7270/Q2BK1BJ8
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50085458
PNG
((S)-2-{(S)-2-[3-(Acetyl-hydroxy-amino)-2-benzyl-pr...)
Show SMILES CC(C)C[C@H](NC(=O)C(CN(O)C(C)=O)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C27H35N3O6/c1-18(2)14-23(26(33)29-24(27(34)35)16-21-12-8-5-9-13-21)28-25(32)22(17-30(36)19(3)31)15-20-10-6-4-7-11-20/h4-13,18,22-24,36H,14-17H2,1-3H3,(H,28,32)(H,29,33)(H,34,35)/t22?,23-,24-/m0/s1
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n/an/a 4.61E+5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme

Bioorg Med Chem Lett 10: 257-60 (2000)


BindingDB Entry DOI: 10.7270/Q2BK1BJ8
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50085456
PNG
(CHEMBL315395 | N-formyl hydroxylamine containing d...)
Show SMILES CC(C)C[C@H](NC(=O)C(CN(O)C(N)=O)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C26H34N4O6/c1-17(2)13-21(24(32)29-22(25(33)34)15-19-11-7-4-8-12-19)28-23(31)20(16-30(36)26(27)35)14-18-9-5-3-6-10-18/h3-12,17,20-22,36H,13-16H2,1-2H3,(H2,27,35)(H,28,31)(H,29,32)(H,33,34)/t20?,21-,22-/m0/s1
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n/an/a 5.29E+5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme

Bioorg Med Chem Lett 10: 257-60 (2000)


BindingDB Entry DOI: 10.7270/Q2BK1BJ8
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))		BDBM50085456
PNG
(CHEMBL315395 | N-formyl hydroxylamine containing d...)
Show SMILES CC(C)C[C@H](NC(=O)C(CN(O)C(N)=O)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C26H34N4O6/c1-17(2)13-21(24(32)29-22(25(33)34)15-19-11-7-4-8-12-19)28-23(31)20(16-30(36)26(27)35)14-18-9-5-3-6-10-18/h3-12,17,20-22,36H,13-16H2,1-2H3,(H2,27,35)(H,28,31)(H,29,32)(H,33,34)/t20?,21-,22-/m0/s1
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n/an/a 7.05E+5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Neutral endopeptidase

Bioorg Med Chem Lett 10: 257-60 (2000)


BindingDB Entry DOI: 10.7270/Q2BK1BJ8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%