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6 similar compounds to monomer 50073120

Compile data set for download or QSAR
Wt: 394.5
BDBM50408138
Wt: 394.5
BDBM50408139
Wt: 408.5
BDBM50403552
Wt: 408.5
BDBM50403555
Wt: 408.5
BDBM50403556
Wt: 382.4
BDBM50403301

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50408138,50408139,50403552,50403555,50403556,50403301   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50408139
PNG
(CHEMBL39774)
Show SMILES OC(=O)[C@@H]1CCC[C@@H]2SC[C@H](NC(=O)[C@@H](S)Cc3ccccc3)C(=O)N12
Show InChI InChI=1S/C18H22N2O4S2/c21-16(14(25)9-11-5-2-1-3-6-11)19-12-10-26-15-8-4-7-13(18(23)24)20(15)17(12)22/h1-3,5-6,12-15,25H,4,7-10H2,(H,19,21)(H,23,24)/t12-,13-,14-,15-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of ACE (Angiotensin I converting enzyme) isolated from rabbit lung extract


J Med Chem 40: 1570-7 (1997)


Article DOI: 10.1021/jm970041e
BindingDB Entry DOI: 10.7270/Q24J0G96
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50408138
PNG
(CHEMBL41753)
Show SMILES OC(=O)[C@@H]1CC[C@@H]2SCC[C@H](NC(=O)[C@@H](S)Cc3ccccc3)C(=O)N12
Show InChI InChI=1S/C18H22N2O4S2/c21-16(14(25)10-11-4-2-1-3-5-11)19-12-8-9-26-15-7-6-13(18(23)24)20(15)17(12)22/h1-5,12-15,25H,6-10H2,(H,19,21)(H,23,24)/t12-,13-,14-,15-/m0/s1
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of ACE (Angiotensin I converting enzyme) isolated from rabbit lung extract


J Med Chem 40: 1570-7 (1997)


Article DOI: 10.1021/jm970041e
BindingDB Entry DOI: 10.7270/Q24J0G96
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50408138
PNG
(CHEMBL41753)
Show SMILES OC(=O)[C@@H]1CC[C@@H]2SCC[C@H](NC(=O)[C@@H](S)Cc3ccccc3)C(=O)N12
Show InChI InChI=1S/C18H22N2O4S2/c21-16(14(25)10-11-4-2-1-3-5-11)19-12-8-9-26-15-7-6-13(18(23)24)20(15)17(12)22/h1-5,12-15,25H,6-10H2,(H,19,21)(H,23,24)/t12-,13-,14-,15-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of neutral endopeptidase purified from rat kidney using fluorimetry assay


J Med Chem 40: 1570-7 (1997)


Article DOI: 10.1021/jm970041e
BindingDB Entry DOI: 10.7270/Q24J0G96
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50408139
PNG
(CHEMBL39774)
Show SMILES OC(=O)[C@@H]1CCC[C@@H]2SC[C@H](NC(=O)[C@@H](S)Cc3ccccc3)C(=O)N12
Show InChI InChI=1S/C18H22N2O4S2/c21-16(14(25)9-11-5-2-1-3-6-11)19-12-10-26-15-8-4-7-13(18(23)24)20(15)17(12)22/h1-3,5-6,12-15,25H,4,7-10H2,(H,19,21)(H,23,24)/t12-,13-,14-,15-/m0/s1
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n/an/a 42n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of neutral endopeptidase purified from rat kidney using fluorimetry assay


J Med Chem 40: 1570-7 (1997)


Article DOI: 10.1021/jm970041e
BindingDB Entry DOI: 10.7270/Q24J0G96
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50403301
PNG
(CHEMBL71496)
Show SMILES C[C@@H]1SCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C(=O)N1CC(O)=O
Show InChI InChI=1S/C17H22N2O4S2/c1-11-19(10-15(20)21)17(23)13(7-8-25-11)18-16(22)14(24)9-12-5-3-2-4-6-12/h2-6,11,13-14,24H,7-10H2,1H3,(H,18,22)(H,20,21)/t11-,13-,14-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Neutral Endopeptidase isolated from rat kidney.


Bioorg Med Chem Lett 4: 2193-2198 (1994)


Article DOI: 10.1016/S0960-894X(00)80070-0
BindingDB Entry DOI: 10.7270/Q2F47Q9D
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50403556
PNG
(CHEMBL165582)
Show SMILES OC(=O)[C@@H]1CCS[C@@H]2CCC[C@H](NC(=O)[C@@H](S)Cc3ccccc3)C(=O)N12
Show InChI InChI=1S/C19H24N2O4S2/c22-17(15(26)11-12-5-2-1-3-6-12)20-13-7-4-8-16-21(18(13)23)14(19(24)25)9-10-27-16/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 25n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against angiotensin converting enzyme (ACE)


Bioorg Med Chem Lett 5: 753-758 (1995)


Article DOI: 10.1016/0960-894X(95)00109-7
BindingDB Entry DOI: 10.7270/Q2MP54GX
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50403552
PNG
(CHEMBL165953)
Show SMILES OC(=O)[C@@H]1CCS[C@H]2CCC[C@H](NC(=O)[C@@H](S)Cc3ccccc3)C(=O)N12
Show InChI InChI=1S/C19H24N2O4S2/c22-17(15(26)11-12-5-2-1-3-6-12)20-13-7-4-8-16-21(18(13)23)14(19(24)25)9-10-27-16/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 133n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against neutral endopeptidase (NEP)


Bioorg Med Chem Lett 5: 753-758 (1995)


Article DOI: 10.1016/0960-894X(95)00109-7
BindingDB Entry DOI: 10.7270/Q2MP54GX
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50403555
PNG
(CHEMBL165061)
Show SMILES OC(=O)[C@H]1CCS[C@@H]2CCC[C@H](NC(=O)[C@@H](S)Cc3ccccc3)C(=O)N12
Show InChI InChI=1S/C19H24N2O4S2/c22-17(15(26)11-12-5-2-1-3-6-12)20-13-7-4-8-16-21(18(13)23)14(19(24)25)9-10-27-16/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 937n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against neutral endopeptidase (NEP)


Bioorg Med Chem Lett 5: 753-758 (1995)


Article DOI: 10.1016/0960-894X(95)00109-7
BindingDB Entry DOI: 10.7270/Q2MP54GX
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50403555
PNG
(CHEMBL165061)
Show SMILES OC(=O)[C@H]1CCS[C@@H]2CCC[C@H](NC(=O)[C@@H](S)Cc3ccccc3)C(=O)N12
Show InChI InChI=1S/C19H24N2O4S2/c22-17(15(26)11-12-5-2-1-3-6-12)20-13-7-4-8-16-21(18(13)23)14(19(24)25)9-10-27-16/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 205n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against angiotensin converting enzyme (ACE)


Bioorg Med Chem Lett 5: 753-758 (1995)


Article DOI: 10.1016/0960-894X(95)00109-7
BindingDB Entry DOI: 10.7270/Q2MP54GX
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50403552
PNG
(CHEMBL165953)
Show SMILES OC(=O)[C@@H]1CCS[C@H]2CCC[C@H](NC(=O)[C@@H](S)Cc3ccccc3)C(=O)N12
Show InChI InChI=1S/C19H24N2O4S2/c22-17(15(26)11-12-5-2-1-3-6-12)20-13-7-4-8-16-21(18(13)23)14(19(24)25)9-10-27-16/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 11.6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against angiotensin converting enzyme (ACE)


Bioorg Med Chem Lett 5: 753-758 (1995)


Article DOI: 10.1016/0960-894X(95)00109-7
BindingDB Entry DOI: 10.7270/Q2MP54GX
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50403556
PNG
(CHEMBL165582)
Show SMILES OC(=O)[C@@H]1CCS[C@@H]2CCC[C@H](NC(=O)[C@@H](S)Cc3ccccc3)C(=O)N12
Show InChI InChI=1S/C19H24N2O4S2/c22-17(15(26)11-12-5-2-1-3-6-12)20-13-7-4-8-16-21(18(13)23)14(19(24)25)9-10-27-16/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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TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against neutral endopeptidase (NEP)


Bioorg Med Chem Lett 5: 753-758 (1995)


Article DOI: 10.1016/0960-894X(95)00109-7
BindingDB Entry DOI: 10.7270/Q2MP54GX
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50403301
PNG
(CHEMBL71496)
Show SMILES C[C@@H]1SCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C(=O)N1CC(O)=O
Show InChI InChI=1S/C17H22N2O4S2/c1-11-19(10-15(20)21)17(23)13(7-8-25-11)18-16(22)14(24)9-12-5-3-2-4-6-12/h2-6,11,13-14,24H,7-10H2,1H3,(H,18,22)(H,20,21)/t11-,13-,14-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of angiotensin converting enzyme isolated from rat lung.


Bioorg Med Chem Lett 4: 2193-2198 (1994)


Article DOI: 10.1016/S0960-894X(00)80070-0
BindingDB Entry DOI: 10.7270/Q2F47Q9D
More data for this
Ligand-Target Pair