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Compile Data Set for Download or QSAR

Found 44 hits with Last Name = 'bennett' and Initial = 'lr'   
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
Angiotensin-converting enzyme


(Rattus norvegicus)		BDBM50367254
PNG
(ENALAPRILAT)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O |r|
Show InChI InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1
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n/an/a 2.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat Angiotensin I converting enzyme (ACE), using Hip-Gly-Gly as synthetic substrate.

J Med Chem 30: 992-8 (1987)


BindingDB Entry DOI: 10.7270/Q29C6Z02
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)		BDBM50226811
PNG
(CHEMBL3349972)
Show SMILES [H][C@]12C[C@]([H])(N(C(=O)[C@H](C)N[C@@H](CCc3ccccc3)C(O)=O)[C@@]1([H])CCCC2)C(O)=O
Show InChI InChI=1S/C22H30N2O5/c1-14(23-17(21(26)27)12-11-15-7-3-2-4-8-15)20(25)24-18-10-6-5-9-16(18)13-19(24)22(28)29/h2-4,7-8,14,16-19,23H,5-6,9-13H2,1H3,(H,26,27)(H,28,29)/t14-,16-,17-,18-,19-/m0/s1
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n/an/a 2.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat Angiotensin I converting enzyme (ACE), using Hip-Gly-Gly as synthetic substrate.

J Med Chem 30: 992-8 (1987)


BindingDB Entry DOI: 10.7270/Q29C6Z02
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)		BDBM50405541
PNG
(CHEMBL2079670)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1C2CCCCC2C[C@H]1C(O)=O |r|
Show InChI InChI=1S/C22H30N2O5/c1-14(23-17(21(26)27)12-11-15-7-3-2-4-8-15)20(25)24-18-10-6-5-9-16(18)13-19(24)22(28)29/h2-4,7-8,14,16-19,23H,5-6,9-13H2,1H3,(H,26,27)(H,28,29)/t14-,16?,17-,18?,19-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of rat Angiotensin I converting enzyme (ACE), using Hip-Gly-Gly as synthetic substrate.

J Med Chem 30: 992-8 (1987)


BindingDB Entry DOI: 10.7270/Q29C6Z02
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)		BDBM50027141
PNG
(1-(5-Benzoylamino-4-oxo-6-phenyl-hexanoyl)-pyrroli...)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)CCC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C24H26N2O5/c27-21(13-14-22(28)26-15-7-12-20(26)24(30)31)19(16-17-8-3-1-4-9-17)25-23(29)18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2,(H,25,29)(H,30,31)/t19?,20-/m0/s1
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n/an/a 3.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat Angiotensin I converting enzyme (ACE), using Hip-Gly-Gly as synthetic substrate.

J Med Chem 30: 992-8 (1987)


BindingDB Entry DOI: 10.7270/Q29C6Z02
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)		BDBM50421824
PNG
(CHEMBL75752)
Show SMILES C[C@H](CS)C(=O)N1[C@@H](Cc2ccccc12)C(O)=O
Show InChI InChI=1S/C13H15NO3S/c1-8(7-18)12(15)14-10-5-3-2-4-9(10)6-11(14)13(16)17/h2-5,8,11,18H,6-7H2,1H3,(H,16,17)/t8-,11+/m1/s1
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n/an/a 3.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat Angiotensin I converting enzyme (ACE), using Hip-Gly-Gly as synthetic substrate.

J Med Chem 30: 992-8 (1987)


BindingDB Entry DOI: 10.7270/Q29C6Z02
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)		BDBM50021795
PNG
((R,R+S,S) 1-(3-Mercapto-2-methyl-propionyl)-octahy...)
Show SMILES CC(CS)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O
Show InChI InChI=1S/C13H21NO3S/c1-8(7-18)12(15)14-10-5-3-2-4-9(10)6-11(14)13(16)17/h8-11,18H,2-7H2,1H3,(H,16,17)/t8?,9-,10-,11-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of rat Angiotensin I converting enzyme (ACE), using Hip-Gly-Gly as synthetic substrate.

J Med Chem 30: 992-8 (1987)


BindingDB Entry DOI: 10.7270/Q29C6Z02
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)		BDBM50021808
PNG
(CHEMBL368598 | Decahydro-8-thia-4b-aza-benzo[a]azu...)
Show SMILES O=C1SCCC(=O)N2C3CCCCC3CC12
Show InChI InChI=1S/C12H17NO2S/c14-11-5-6-16-12(15)10-7-8-3-1-2-4-9(8)13(10)11/h8-10H,1-7H2
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TBA

Curated by ChEMBL


Assay Description
Inhibition of rat Angiotensin I converting enzyme (ACE), using Hip-Gly-Gly as synthetic substrate.

J Med Chem 30: 992-8 (1987)


BindingDB Entry DOI: 10.7270/Q29C6Z02
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)		BDBM50021807
PNG
((S,S)1-(3-Mercapto-2-methyl-propionyl)-5-oxo-pyrro...)
Show SMILES CC(CS)C(=O)N1C(CCC1=O)C(O)=O
Show InChI InChI=1S/C9H13NO4S/c1-5(4-15)8(12)10-6(9(13)14)2-3-7(10)11/h5-6,15H,2-4H2,1H3,(H,13,14)
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n/an/a 9.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat Angiotensin I converting enzyme (ACE), using Hip-Gly-Gly as synthetic substrate.

J Med Chem 30: 992-8 (1987)


BindingDB Entry DOI: 10.7270/Q29C6Z02
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)		BDBM50021784
PNG
((RSR)1-[2-(1-Carboxy-3-phenyl-propylamino)-propion...)
Show SMILES [H][C@]12C[C@]([H])(N(C(=O)[C@H](C)N[C@H](CCc3ccccc3)C(O)=O)[C@@]1([H])CCCC2)C(O)=O
Show InChI InChI=1S/C22H30N2O5/c1-14(23-17(21(26)27)12-11-15-7-3-2-4-8-15)20(25)24-18-10-6-5-9-16(18)13-19(24)22(28)29/h2-4,7-8,14,16-19,23H,5-6,9-13H2,1H3,(H,26,27)(H,28,29)/t14?,16-,17?,18-,19-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of rat Angiotensin I converting enzyme (ACE), using Hip-Gly-Gly as synthetic substrate.

J Med Chem 30: 992-8 (1987)


BindingDB Entry DOI: 10.7270/Q29C6Z02
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)		BDBM50021801
PNG
(1-(5-Benzoylamino-4-oxo-6-phenyl-hexanoyl)-octahyd...)
Show SMILES OC(=O)C1CC2CCCCC2N1C(=O)CCC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C28H32N2O5/c31-25(15-16-26(32)30-23-14-8-7-13-21(23)18-24(30)28(34)35)22(17-19-9-3-1-4-10-19)29-27(33)20-11-5-2-6-12-20/h1-6,9-12,21-24H,7-8,13-18H2,(H,29,33)(H,34,35)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of rat Angiotensin I converting enzyme (ACE), using Hip-Gly-Gly as synthetic substrate.

J Med Chem 30: 992-8 (1987)


BindingDB Entry DOI: 10.7270/Q29C6Z02
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)		BDBM50021784
PNG
((RSR)1-[2-(1-Carboxy-3-phenyl-propylamino)-propion...)
Show SMILES [H][C@]12C[C@]([H])(N(C(=O)[C@H](C)N[C@H](CCc3ccccc3)C(O)=O)[C@@]1([H])CCCC2)C(O)=O
Show InChI InChI=1S/C22H30N2O5/c1-14(23-17(21(26)27)12-11-15-7-3-2-4-8-15)20(25)24-18-10-6-5-9-16(18)13-19(24)22(28)29/h2-4,7-8,14,16-19,23H,5-6,9-13H2,1H3,(H,26,27)(H,28,29)/t14?,16-,17?,18-,19-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of rat Angiotensin I converting enzyme (ACE), using Hip-Gly-Gly as synthetic substrate.

J Med Chem 30: 992-8 (1987)


BindingDB Entry DOI: 10.7270/Q29C6Z02
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)		BDBM21642
PNG
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of rat Angiotensin I converting enzyme (ACE), using Hip-Gly-Gly as synthetic substrate.

J Med Chem 30: 992-8 (1987)


BindingDB Entry DOI: 10.7270/Q29C6Z02
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)		BDBM50021792
PNG
((S)1-(3-Mercapto-propionyl)-octahydro-indole-2-car...)
Show SMILES OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCS
Show InChI InChI=1S/C12H19NO3S/c14-11(5-6-17)13-9-4-2-1-3-8(9)7-10(13)12(15)16/h8-10,17H,1-7H2,(H,15,16)/t8-,9-,10-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of rat Angiotensin I converting enzyme (ACE), using Hip-Gly-Gly as synthetic substrate.

J Med Chem 30: 992-8 (1987)


BindingDB Entry DOI: 10.7270/Q29C6Z02
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)		BDBM50367514
PNG
(CHEMBL1744311)
Show SMILES OC(=O)C1C2CCCCC2C(=O)N1C(=O)CCS
Show InChI InChI=1S/C12H17NO4S/c14-9(5-6-18)13-10(12(16)17)7-3-1-2-4-8(7)11(13)15/h7-8,10,18H,1-6H2,(H,16,17)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of rat Angiotensin I converting enzyme (ACE), using Hip-Gly-Gly as synthetic substrate.

J Med Chem 30: 992-8 (1987)


BindingDB Entry DOI: 10.7270/Q29C6Z02
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)		BDBM50021792
PNG
((S)1-(3-Mercapto-propionyl)-octahydro-indole-2-car...)
Show SMILES OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCS
Show InChI InChI=1S/C12H19NO3S/c14-11(5-6-17)13-9-4-2-1-3-8(9)7-10(13)12(15)16/h8-10,17H,1-7H2,(H,15,16)/t8-,9-,10-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of rat Angiotensin I converting enzyme (ACE), using Hip-Gly-Gly as synthetic substrate.

J Med Chem 30: 992-8 (1987)


BindingDB Entry DOI: 10.7270/Q29C6Z02
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)		BDBM50367513
PNG
(CHEMBL1744310)
Show SMILES CC(CS)C(=O)N1C(C2CCCCC2C1=O)C(O)=O
Show InChI InChI=1S/C13H19NO4S/c1-7(6-19)11(15)14-10(13(17)18)8-4-2-3-5-9(8)12(14)16/h7-10,19H,2-6H2,1H3,(H,17,18)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of rat Angiotensin I converting enzyme (ACE), using Hip-Gly-Gly as synthetic substrate.

J Med Chem 30: 992-8 (1987)


BindingDB Entry DOI: 10.7270/Q29C6Z02
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)		BDBM50405539
PNG
(CHEMBL2052024)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1C2CCCCC2C[C@@H]1C(O)=O |r|
Show InChI InChI=1S/C22H30N2O5/c1-14(23-17(21(26)27)12-11-15-7-3-2-4-8-15)20(25)24-18-10-6-5-9-16(18)13-19(24)22(28)29/h2-4,7-8,14,16-19,23H,5-6,9-13H2,1H3,(H,26,27)(H,28,29)/t14-,16?,17-,18?,19+/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of rat Angiotensin I converting enzyme (ACE), using Hip-Gly-Gly as synthetic substrate.

J Med Chem 30: 992-8 (1987)


BindingDB Entry DOI: 10.7270/Q29C6Z02
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)		BDBM50367515
PNG
(CHEMBL1744316)
Show SMILES OC(=O)C1C2CCCCC2CN1C(=O)CCS
Show InChI InChI=1S/C12H19NO3S/c14-10(5-6-17)13-7-8-3-1-2-4-9(8)11(13)12(15)16/h8-9,11,17H,1-7H2,(H,15,16)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of rat Angiotensin I converting enzyme (ACE), using Hip-Gly-Gly as synthetic substrate.

J Med Chem 30: 992-8 (1987)


BindingDB Entry DOI: 10.7270/Q29C6Z02
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)		BDBM50021804
PNG
(2-(3-Mercapto-2-methyl-propionyl)-octahydro-isoind...)
Show SMILES CC(CS)C(=O)N1CC2CCCCC2C1C(O)=O
Show InChI InChI=1S/C13H21NO3S/c1-8(7-18)12(15)14-6-9-4-2-3-5-10(9)11(14)13(16)17/h8-11,18H,2-7H2,1H3,(H,16,17)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of rat Angiotensin I converting enzyme (ACE), using Hip-Gly-Gly as synthetic substrate.

J Med Chem 30: 992-8 (1987)


BindingDB Entry DOI: 10.7270/Q29C6Z02
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)		BDBM50021786
PNG
((SSS)1-[2-(1-Ethoxycarbonyl-3-phenyl-propylamino)-...)
Show SMILES CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1C(CCC1=O)C(O)=O
Show InChI InChI=1S/C20H26N2O6/c1-3-28-20(27)15(10-9-14-7-5-4-6-8-14)21-13(2)18(24)22-16(19(25)26)11-12-17(22)23/h4-8,13,15-16,21H,3,9-12H2,1-2H3,(H,25,26)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of rat Angiotensin I converting enzyme (ACE), using Hip-Gly-Gly as synthetic substrate.

J Med Chem 30: 992-8 (1987)


BindingDB Entry DOI: 10.7270/Q29C6Z02
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)		BDBM50017129
PNG
((S)-1-((S)-2-((R)-1-ethoxy-1-oxo-4-phenylbutan-2-y...)
Show SMILES CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(O)=O |r|
Show InChI InChI=1S/C20H28N2O5/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25)/t14-,16-,17-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of rat Angiotensin I converting enzyme (ACE), using Hip-Gly-Gly as synthetic substrate.

J Med Chem 30: 992-8 (1987)


BindingDB Entry DOI: 10.7270/Q29C6Z02
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)		BDBM50021783
PNG
(1-(3-Mercapto-propionyl)-2,3-dihydro-1H-indole-2-c...)
Show SMILES OC(=O)C1Cc2ccccc2N1C(=O)CCS
Show InChI InChI=1S/C12H13NO3S/c14-11(5-6-17)13-9-4-2-1-3-8(9)7-10(13)12(15)16/h1-4,10,17H,5-7H2,(H,15,16)
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n/an/a 140n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat Angiotensin I converting enzyme (ACE), using Hip-Gly-Gly as synthetic substrate.

J Med Chem 30: 992-8 (1987)


BindingDB Entry DOI: 10.7270/Q29C6Z02
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)		BDBM50021782
PNG
((RSR)1-[2-(1-Ethoxycarbonyl-3-phenyl-propylamino)-...)
Show SMILES CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O
Show InChI InChI=1S/C24H34N2O5/c1-3-31-24(30)19(14-13-17-9-5-4-6-10-17)25-16(2)22(27)26-20-12-8-7-11-18(20)15-21(26)23(28)29/h4-6,9-10,16,18-21,25H,3,7-8,11-15H2,1-2H3,(H,28,29)/t16?,18-,19?,20-,21-/m0/s1
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n/an/a 170n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat Angiotensin I converting enzyme (ACE), using Hip-Gly-Gly as synthetic substrate.

J Med Chem 30: 992-8 (1987)


BindingDB Entry DOI: 10.7270/Q29C6Z02
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)		BDBM50021782
PNG
((RSR)1-[2-(1-Ethoxycarbonyl-3-phenyl-propylamino)-...)
Show SMILES CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O
Show InChI InChI=1S/C24H34N2O5/c1-3-31-24(30)19(14-13-17-9-5-4-6-10-17)25-16(2)22(27)26-20-12-8-7-11-18(20)15-21(26)23(28)29/h4-6,9-10,16,18-21,25H,3,7-8,11-15H2,1-2H3,(H,28,29)/t16?,18-,19?,20-,21-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of rat Angiotensin I converting enzyme (ACE), using Hip-Gly-Gly as synthetic substrate.

J Med Chem 30: 992-8 (1987)


BindingDB Entry DOI: 10.7270/Q29C6Z02
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)		BDBM50367511
PNG
(CHEMBL1744309)
Show SMILES CC(CSC(C)=O)C(=O)N1C(C2CCCCC2C1=O)C(O)=O
Show InChI InChI=1S/C15H21NO5S/c1-8(7-22-9(2)17)13(18)16-12(15(20)21)10-5-3-4-6-11(10)14(16)19/h8,10-12H,3-7H2,1-2H3,(H,20,21)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of rat Angiotensin I converting enzyme (ACE), using Hip-Gly-Gly as synthetic substrate.

J Med Chem 30: 992-8 (1987)


BindingDB Entry DOI: 10.7270/Q29C6Z02
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)		BDBM50021803
PNG
((SSS+SSR)2-[2-(1-Ethoxycarbonyl-3-phenyl-propylami...)
Show SMILES CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1C(C2CCCCC2C1=O)C(O)=O
Show InChI InChI=1S/C24H32N2O6/c1-3-32-24(31)19(14-13-16-9-5-4-6-10-16)25-15(2)21(27)26-20(23(29)30)17-11-7-8-12-18(17)22(26)28/h4-6,9-10,15,17-20,25H,3,7-8,11-14H2,1-2H3,(H,29,30)
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n/an/a 340n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat Angiotensin I converting enzyme (ACE), using Hip-Gly-Gly as synthetic substrate.

J Med Chem 30: 992-8 (1987)


BindingDB Entry DOI: 10.7270/Q29C6Z02
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)		BDBM50367510
PNG
(CHEMBL1794914)
Show SMILES CC(CSC(C)=O)C(=O)N1CC2CCCCC2C1C(O)=O
Show InChI InChI=1S/C15H23NO4S/c1-9(8-21-10(2)17)14(18)16-7-11-5-3-4-6-12(11)13(16)15(19)20/h9,11-13H,3-8H2,1-2H3,(H,19,20)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of rat Angiotensin I converting enzyme (ACE), using Hip-Gly-Gly as synthetic substrate.

J Med Chem 30: 992-8 (1987)


BindingDB Entry DOI: 10.7270/Q29C6Z02
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)		BDBM50021799
PNG
((S)1-(3-Acetylsulfanyl-propionyl)-octahydro-indole...)
Show SMILES CC(=O)SCCC(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O
Show InChI InChI=1S/C14H21NO4S/c1-9(16)20-7-6-13(17)15-11-5-3-2-4-10(11)8-12(15)14(18)19/h10-12H,2-8H2,1H3,(H,18,19)/t10-,11-,12-/m0/s1
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n/an/a 480n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat Angiotensin I converting enzyme (ACE), using Hip-Gly-Gly as synthetic substrate.

J Med Chem 30: 992-8 (1987)


BindingDB Entry DOI: 10.7270/Q29C6Z02
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)		BDBM50021799
PNG
((S)1-(3-Acetylsulfanyl-propionyl)-octahydro-indole...)
Show SMILES CC(=O)SCCC(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O
Show InChI InChI=1S/C14H21NO4S/c1-9(16)20-7-6-13(17)15-11-5-3-2-4-10(11)8-12(15)14(18)19/h10-12H,2-8H2,1H3,(H,18,19)/t10-,11-,12-/m0/s1
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n/an/a 480n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat Angiotensin I converting enzyme (ACE), using Hip-Gly-Gly as synthetic substrate.

J Med Chem 30: 992-8 (1987)


BindingDB Entry DOI: 10.7270/Q29C6Z02
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)		BDBM50021793
PNG
((S,S) 1-(3-Benzoylsulfanyl-2-methyl-propionyl)-oct...)
Show SMILES CC(CSC(=O)c1ccccc1)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O
Show InChI InChI=1S/C20H25NO4S/c1-13(12-26-20(25)14-7-3-2-4-8-14)18(22)21-16-10-6-5-9-15(16)11-17(21)19(23)24/h2-4,7-8,13,15-17H,5-6,9-12H2,1H3,(H,23,24)/t13?,15-,16-,17-/m0/s1
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n/an/a 540n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat Angiotensin I converting enzyme (ACE), using Hip-Gly-Gly as synthetic substrate.

J Med Chem 30: 992-8 (1987)


BindingDB Entry DOI: 10.7270/Q29C6Z02
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)		BDBM50367512
PNG
(CHEMBL1744321)
Show SMILES CC(=O)SCCC(=O)N1C(C2CCCCC2C1=O)C(O)=O
Show InChI InChI=1S/C14H19NO5S/c1-8(16)21-7-6-11(17)15-12(14(19)20)9-4-2-3-5-10(9)13(15)18/h9-10,12H,2-7H2,1H3,(H,19,20)
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n/an/a 660n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat Angiotensin I converting enzyme (ACE), using Hip-Gly-Gly as synthetic substrate.

J Med Chem 30: 992-8 (1987)


BindingDB Entry DOI: 10.7270/Q29C6Z02
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)		BDBM50018792
PNG
((L)-1-(3-Mercapto-propionyl)-pyrrolidine-2-carboxy...)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)CCS |r|
Show InChI InChI=1S/C8H13NO3S/c10-7(3-5-13)9-4-1-2-6(9)8(11)12/h6,13H,1-5H2,(H,11,12)/t6-/m0/s1
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n/an/a 820n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat Angiotensin I converting enzyme (ACE), using Hip-Gly-Gly as synthetic substrate.

J Med Chem 30: 992-8 (1987)


BindingDB Entry DOI: 10.7270/Q29C6Z02
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)		BDBM50021787
PNG
((S)1-(3-Mercapto-propionyl)-5-oxo-pyrrolidine-2-ca...)
Show SMILES OC(=O)[C@@H]1CCC(=O)N1C(=O)CCS |r|
Show InChI InChI=1S/C8H11NO4S/c10-6-2-1-5(8(12)13)9(6)7(11)3-4-14/h5,14H,1-4H2,(H,12,13)/t5-/m0/s1
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n/an/a 960n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat Angiotensin I converting enzyme (ACE), using Hip-Gly-Gly as synthetic substrate.

J Med Chem 30: 992-8 (1987)


BindingDB Entry DOI: 10.7270/Q29C6Z02
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)		BDBM50021795
PNG
((R,R+S,S) 1-(3-Mercapto-2-methyl-propionyl)-octahy...)
Show SMILES CC(CS)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O
Show InChI InChI=1S/C13H21NO3S/c1-8(7-18)12(15)14-10-5-3-2-4-9(10)6-11(14)13(16)17/h8-11,18H,2-7H2,1H3,(H,16,17)/t8?,9-,10-,11-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat Angiotensin I converting enzyme (ACE), using Hip-Gly-Gly as synthetic substrate.

J Med Chem 30: 992-8 (1987)


BindingDB Entry DOI: 10.7270/Q29C6Z02
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)		BDBM50021795
PNG
((R,R+S,S) 1-(3-Mercapto-2-methyl-propionyl)-octahy...)
Show SMILES CC(CS)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O
Show InChI InChI=1S/C13H21NO3S/c1-8(7-18)12(15)14-10-5-3-2-4-9(10)6-11(14)13(16)17/h8-11,18H,2-7H2,1H3,(H,16,17)/t8?,9-,10-,11-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat Angiotensin I converting enzyme (ACE), using Hip-Gly-Gly as synthetic substrate.

J Med Chem 30: 992-8 (1987)


BindingDB Entry DOI: 10.7270/Q29C6Z02
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)		BDBM50021794
PNG
(2-(3-Acetylsulfanyl-propionyl)-octahydro-isoindole...)
Show SMILES CC(=O)SCCC(=O)N1CC2CCCCC2C1C(O)=O
Show InChI InChI=1S/C14H21NO4S/c1-9(16)20-7-6-12(17)15-8-10-4-2-3-5-11(10)13(15)14(18)19/h10-11,13H,2-8H2,1H3,(H,18,19)
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n/an/a 1.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat Angiotensin I converting enzyme (ACE), using Hip-Gly-Gly as synthetic substrate.

J Med Chem 30: 992-8 (1987)


BindingDB Entry DOI: 10.7270/Q29C6Z02
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)		BDBM50021784
PNG
((RSR)1-[2-(1-Carboxy-3-phenyl-propylamino)-propion...)
Show SMILES [H][C@]12C[C@]([H])(N(C(=O)[C@H](C)N[C@H](CCc3ccccc3)C(O)=O)[C@@]1([H])CCCC2)C(O)=O
Show InChI InChI=1S/C22H30N2O5/c1-14(23-17(21(26)27)12-11-15-7-3-2-4-8-15)20(25)24-18-10-6-5-9-16(18)13-19(24)22(28)29/h2-4,7-8,14,16-19,23H,5-6,9-13H2,1H3,(H,26,27)(H,28,29)/t14?,16-,17?,18-,19-/m0/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat Angiotensin I converting enzyme (ACE), using Hip-Gly-Gly as synthetic substrate.

J Med Chem 30: 992-8 (1987)


BindingDB Entry DOI: 10.7270/Q29C6Z02
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)		BDBM50405540
PNG
(CHEMBL2093952)
Show SMILES CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1[C@H]2CCCC[C@H]2C[C@@H]1C(O)=O |r|
Show InChI InChI=1S/C24H34N2O5/c1-3-31-24(30)19(14-13-17-9-5-4-6-10-17)25-16(2)22(27)26-20-12-8-7-11-18(20)15-21(26)23(28)29/h4-6,9-10,16,18-21,25H,3,7-8,11-15H2,1-2H3,(H,28,29)/t16?,18-,19?,20-,21+/m0/s1
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n/an/a 7.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat Angiotensin I converting enzyme (ACE), using Hip-Gly-Gly as synthetic substrate.

J Med Chem 30: 992-8 (1987)


BindingDB Entry DOI: 10.7270/Q29C6Z02
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)		BDBM50021797
PNG
((R,R+S,S) 1-(3-Acetylsulfanyl-2-methyl-propionyl)-...)
Show SMILES CC(CSC(C)=O)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O
Show InChI InChI=1S/C15H23NO4S/c1-9(8-21-10(2)17)14(18)16-12-6-4-3-5-11(12)7-13(16)15(19)20/h9,11-13H,3-8H2,1-2H3,(H,19,20)/t9?,11-,12-,13-/m0/s1
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n/an/a 3.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat Angiotensin I converting enzyme (ACE), using Hip-Gly-Gly as synthetic substrate.

J Med Chem 30: 992-8 (1987)


BindingDB Entry DOI: 10.7270/Q29C6Z02
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)		BDBM50021797
PNG
((R,R+S,S) 1-(3-Acetylsulfanyl-2-methyl-propionyl)-...)
Show SMILES CC(CSC(C)=O)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O
Show InChI InChI=1S/C15H23NO4S/c1-9(8-21-10(2)17)14(18)16-12-6-4-3-5-11(12)7-13(16)15(19)20/h9,11-13H,3-8H2,1-2H3,(H,19,20)/t9?,11-,12-,13-/m0/s1
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n/an/a 3.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat Angiotensin I converting enzyme (ACE), using Hip-Gly-Gly as synthetic substrate.

J Med Chem 30: 992-8 (1987)


BindingDB Entry DOI: 10.7270/Q29C6Z02
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)		BDBM50021782
PNG
((RSR)1-[2-(1-Ethoxycarbonyl-3-phenyl-propylamino)-...)
Show SMILES CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O
Show InChI InChI=1S/C24H34N2O5/c1-3-31-24(30)19(14-13-17-9-5-4-6-10-17)25-16(2)22(27)26-20-12-8-7-11-18(20)15-21(26)23(28)29/h4-6,9-10,16,18-21,25H,3,7-8,11-15H2,1-2H3,(H,28,29)/t16?,18-,19?,20-,21-/m0/s1
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n/an/a 5.70E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat Angiotensin I converting enzyme (ACE), using Hip-Gly-Gly as synthetic substrate.

J Med Chem 30: 992-8 (1987)


BindingDB Entry DOI: 10.7270/Q29C6Z02
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)		BDBM50021782
PNG
((RSR)1-[2-(1-Ethoxycarbonyl-3-phenyl-propylamino)-...)
Show SMILES CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O
Show InChI InChI=1S/C24H34N2O5/c1-3-31-24(30)19(14-13-17-9-5-4-6-10-17)25-16(2)22(27)26-20-12-8-7-11-18(20)15-21(26)23(28)29/h4-6,9-10,16,18-21,25H,3,7-8,11-15H2,1-2H3,(H,28,29)/t16?,18-,19?,20-,21-/m0/s1
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n/an/a 5.70E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat Angiotensin I converting enzyme (ACE), using Hip-Gly-Gly as synthetic substrate.

J Med Chem 30: 992-8 (1987)


BindingDB Entry DOI: 10.7270/Q29C6Z02
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)		BDBM50021798
PNG
((SSS)2-(3-Methyl-1,4-dioxo-decahydro-pyrazino[1,2-...)
Show SMILES CCOC(=O)C(CCc1ccccc1)N1C(C)C(=O)N2C3CCCCC3CC2C1=O
Show InChI InChI=1S/C24H32N2O4/c1-3-30-24(29)20(14-13-17-9-5-4-6-10-17)25-16(2)22(27)26-19-12-8-7-11-18(19)15-21(26)23(25)28/h4-6,9-10,16,18-21H,3,7-8,11-15H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat Angiotensin I converting enzyme (ACE), using Hip-Gly-Gly as synthetic substrate.

J Med Chem 30: 992-8 (1987)


BindingDB Entry DOI: 10.7270/Q29C6Z02
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)		BDBM50021782
PNG
((RSR)1-[2-(1-Ethoxycarbonyl-3-phenyl-propylamino)-...)
Show SMILES CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O
Show InChI InChI=1S/C24H34N2O5/c1-3-31-24(30)19(14-13-17-9-5-4-6-10-17)25-16(2)22(27)26-20-12-8-7-11-18(20)15-21(26)23(28)29/h4-6,9-10,16,18-21,25H,3,7-8,11-15H2,1-2H3,(H,28,29)/t16?,18-,19?,20-,21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat Angiotensin I converting enzyme (ACE), using Hip-Gly-Gly as synthetic substrate.

J Med Chem 30: 992-8 (1987)


BindingDB Entry DOI: 10.7270/Q29C6Z02
More data for this
Ligand-Target Pair