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PubMed code 2999395

Compile data set for download or QSAR
Found 30 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
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50021184
PNG
(1-(4-Benzyloxycarbonylamino-4-carboxy-butyryl)-oct...)
Show SMILES OC(=O)[C@@H](CCC(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C22H28N2O7/c25-19(24-17-9-5-4-8-15(17)12-18(24)21(28)29)11-10-16(20(26)27)23-22(30)31-13-14-6-2-1-3-7-14/h1-3,6-7,15-18H,4-5,8-13H2,(H,23,30)(H,26,27)(H,28,29)/t15-,16+,17-,18-/m0/s1
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n/an/a 2.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of angiotensin I converting enzyme from rabbit lung

J Med Chem 28: 1606-11 (1985)


BindingDB Entry DOI: 10.7270/Q2TT4RHP
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50367235
PNG
(CHEMBL1169570)
Show SMILES OC(=O)C(CCC(=O)N1[C@H](Cc2ccccc12)C(O)=O)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C22H22N2O7/c25-19(24-17-9-5-4-8-15(17)12-18(24)21(28)29)11-10-16(20(26)27)23-22(30)31-13-14-6-2-1-3-7-14/h1-9,16,18H,10-13H2,(H,23,30)(H,26,27)(H,28,29)/t16?,18-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of angiotensin I converting enzyme from rabbit lung

J Med Chem 28: 1606-11 (1985)


BindingDB Entry DOI: 10.7270/Q2TT4RHP
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50021176
PNG
(1-(4-Benzyloxycarbonylamino-4-carboxy-butyryl)-2,3...)
Show SMILES CN(C)CCOC(=O)[C@@H]1Cc2ccccc2N1C(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C26H31N3O7/c1-28(2)14-15-35-25(33)22-16-19-10-6-7-11-21(19)29(22)23(30)13-12-20(24(31)32)27-26(34)36-17-18-8-4-3-5-9-18/h3-11,20,22H,12-17H2,1-2H3,(H,27,34)(H,31,32)/t20-,22+/m1/s1
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n/an/a 7n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of angiotensin I converting enzyme from rabbit lung

J Med Chem 28: 1606-11 (1985)


BindingDB Entry DOI: 10.7270/Q2TT4RHP
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50021170
PNG
(2-(4-Benzyloxycarbonylamino-4-carboxy-butyryl)-1,2...)
Show SMILES OC(=O)[C@@H](CCC(=O)N1Cc2ccccc2C[C@H]1C(O)=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C23H24N2O7/c26-20(25-13-17-9-5-4-8-16(17)12-19(25)22(29)30)11-10-18(21(27)28)24-23(31)32-14-15-6-2-1-3-7-15/h1-9,18-19H,10-14H2,(H,24,31)(H,27,28)(H,29,30)/t18-,19+/m1/s1
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n/an/a 14n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of angiotensin I converting enzyme from rabbit lung

J Med Chem 28: 1606-11 (1985)


BindingDB Entry DOI: 10.7270/Q2TT4RHP
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50021163
PNG
(2-(4-Benzyloxycarbonylamino-4-carboxy-butyryl)-dec...)
Show SMILES OC(=O)[C@@H](CCC(=O)N1C[C@H]2CCCC[C@H]2C[C@H]1C(O)=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C23H30N2O7/c26-20(25-13-17-9-5-4-8-16(17)12-19(25)22(29)30)11-10-18(21(27)28)24-23(31)32-14-15-6-2-1-3-7-15/h1-3,6-7,16-19H,4-5,8-14H2,(H,24,31)(H,27,28)(H,29,30)/t16-,17+,18+,19-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of angiotensin I converting enzyme from rabbit lung

J Med Chem 28: 1606-11 (1985)


BindingDB Entry DOI: 10.7270/Q2TT4RHP
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50021164
PNG
(1-[4-Carboxy-4-(toluene-4-sulfonylamino)-butyryl]-...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@H](CCC(=O)N1[C@@H](Cc2ccccc12)C(O)=O)C(O)=O
Show InChI InChI=1S/C21H22N2O7S/c1-13-6-8-15(9-7-13)31(29,30)22-16(20(25)26)10-11-19(24)23-17-5-3-2-4-14(17)12-18(23)21(27)28/h2-9,16,18,22H,10-12H2,1H3,(H,25,26)(H,27,28)/t16-,18+/m1/s1
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of angiotensin I converting enzyme from rabbit lung

J Med Chem 28: 1606-11 (1985)


BindingDB Entry DOI: 10.7270/Q2TT4RHP
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50021155
PNG
(2-Benzyloxycarbonylamino-4-[carboxymethyl-(3,4-dim...)
Show SMILES COc1ccc(cc1OC)N(CC(O)=O)C(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C23H26N2O9/c1-32-18-10-8-16(12-19(18)33-2)25(13-21(27)28)20(26)11-9-17(22(29)30)24-23(31)34-14-15-6-4-3-5-7-15/h3-8,10,12,17H,9,11,13-14H2,1-2H3,(H,24,31)(H,27,28)(H,29,30)/t17-/m1/s1
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n/an/a 21n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of angiotensin I converting enzyme from rabbit lung

J Med Chem 28: 1606-11 (1985)


BindingDB Entry DOI: 10.7270/Q2TT4RHP
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50021172
PNG
(1-{4-Carboxy-4-[(pyridine-3-carbonyl)-amino]-butyr...)
Show SMILES OC(=O)[C@@H](CCC(=O)N1[C@@H](Cc2ccccc12)C(O)=O)NC(=O)c1cccnc1
Show InChI InChI=1S/C20H19N3O6/c24-17(23-15-6-2-1-4-12(15)10-16(23)20(28)29)8-7-14(19(26)27)22-18(25)13-5-3-9-21-11-13/h1-6,9,11,14,16H,7-8,10H2,(H,22,25)(H,26,27)(H,28,29)/t14-,16+/m1/s1
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of angiotensin I converting enzyme from rabbit lung

J Med Chem 28: 1606-11 (1985)


BindingDB Entry DOI: 10.7270/Q2TT4RHP
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50021171
PNG
(1-(4-Benzoylamino-4-carboxy-butyryl)-2,3-dihydro-1...)
Show SMILES OC(=O)[C@@H](CCC(=O)N1[C@@H](Cc2ccccc12)C(O)=O)NC(=O)c1ccccc1
Show InChI InChI=1S/C21H20N2O6/c24-18(23-16-9-5-4-8-14(16)12-17(23)21(28)29)11-10-15(20(26)27)22-19(25)13-6-2-1-3-7-13/h1-9,15,17H,10-12H2,(H,22,25)(H,26,27)(H,28,29)/t15-,17+/m1/s1
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of angiotensin I converting enzyme from rabbit lung

J Med Chem 28: 1606-11 (1985)


BindingDB Entry DOI: 10.7270/Q2TT4RHP
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50021173
PNG
(1-(4-Carboxy-4-phenylmethanesulfonylamino-butyryl)...)
Show SMILES OC(=O)[C@@H](CCC(=O)N1[C@@H](Cc2ccccc12)C(O)=O)NS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C21H22N2O7S/c24-19(23-17-9-5-4-8-15(17)12-18(23)21(27)28)11-10-16(20(25)26)22-31(29,30)13-14-6-2-1-3-7-14/h1-9,16,18,22H,10-13H2,(H,25,26)(H,27,28)/t16-,18+/m1/s1
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of angiotensin I converting enzyme from rabbit lung

J Med Chem 28: 1606-11 (1985)


BindingDB Entry DOI: 10.7270/Q2TT4RHP
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50021181
PNG
(1-(4-Benzyloxycarbonylamino-4-carboxy-butyryl)-2,3...)
Show SMILES CN(C)CCCOC(=O)[C@@H]1Cc2ccccc2N1C(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C27H33N3O7/c1-29(2)15-8-16-36-26(34)23-17-20-11-6-7-12-22(20)30(23)24(31)14-13-21(25(32)33)28-27(35)37-18-19-9-4-3-5-10-19/h3-7,9-12,21,23H,8,13-18H2,1-2H3,(H,28,35)(H,32,33)/t21-,23+/m1/s1
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of angiotensin I converting enzyme from rabbit lung

J Med Chem 28: 1606-11 (1985)


BindingDB Entry DOI: 10.7270/Q2TT4RHP
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50021183
PNG
(1-[4-Carboxy-4-(3-phenyl-propionylamino)-butyryl]-...)
Show SMILES OC(=O)[C@@H](CCC(=O)N1[C@@H](Cc2ccccc12)C(O)=O)NC(=O)CCc1ccccc1
Show InChI InChI=1S/C23H24N2O6/c26-20(12-10-15-6-2-1-3-7-15)24-17(22(28)29)11-13-21(27)25-18-9-5-4-8-16(18)14-19(25)23(30)31/h1-9,17,19H,10-14H2,(H,24,26)(H,28,29)(H,30,31)/t17-,19+/m1/s1
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of angiotensin I converting enzyme from rabbit lung

J Med Chem 28: 1606-11 (1985)


BindingDB Entry DOI: 10.7270/Q2TT4RHP
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50021166
PNG
(2-Benzyloxycarbonylamino-4-(carboxymethyl-cyclopen...)
Show SMILES OC(=O)CN(C1CCCC1)C(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C20H26N2O7/c23-17(22(12-18(24)25)15-8-4-5-9-15)11-10-16(19(26)27)21-20(28)29-13-14-6-2-1-3-7-14/h1-3,6-7,15-16H,4-5,8-13H2,(H,21,28)(H,24,25)(H,26,27)/t16-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of angiotensin I converting enzyme from rabbit lung

J Med Chem 28: 1606-11 (1985)


BindingDB Entry DOI: 10.7270/Q2TT4RHP
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50021175
PNG
(1-[4-Carboxy-4-(3-phenyl-ureido)-butyryl]-2,3-dihy...)
Show SMILES OC(=O)[C@@H](CCC(=O)N1[C@@H](Cc2ccccc12)C(O)=O)NC(=O)Nc1ccccc1
Show InChI InChI=1S/C21H21N3O6/c25-18(24-16-9-5-4-6-13(16)12-17(24)20(28)29)11-10-15(19(26)27)23-21(30)22-14-7-2-1-3-8-14/h1-9,15,17H,10-12H2,(H,26,27)(H,28,29)(H2,22,23,30)/t15-,17+/m1/s1
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of angiotensin I converting enzyme from rabbit lung

J Med Chem 28: 1606-11 (1985)


BindingDB Entry DOI: 10.7270/Q2TT4RHP
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50021157
PNG
(1-(4-Benzyloxycarbonylamino-4-carboxy-butyryl)-pyr...)
Show SMILES OC(=O)[C@@H](CCC(=O)N1CCC[C@H]1C(O)=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C18H22N2O7/c21-15(20-10-4-7-14(20)17(24)25)9-8-13(16(22)23)19-18(26)27-11-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2,(H,19,26)(H,22,23)(H,24,25)/t13-,14+/m1/s1
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of angiotensin I converting enzyme from rabbit lung

J Med Chem 28: 1606-11 (1985)


BindingDB Entry DOI: 10.7270/Q2TT4RHP
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50021160
PNG
(CHEMBL40360 | Sodium; 1-[3-(4-benzyloxycarbonyl-2-...)
Show SMILES [O-]C(=O)[C@@H]1Cc2ccccc2N1C(=O)CC[C@H]1N(CCOC1=O)C(=O)OCc1ccccc1
Show InChI InChI=1S/C24H24N2O7/c27-21(26-18-9-5-4-8-17(18)14-20(26)22(28)29)11-10-19-23(30)32-13-12-25(19)24(31)33-15-16-6-2-1-3-7-16/h1-9,19-20H,10-15H2,(H,28,29)/p-1/t19-,20+/m1/s1
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of angiotensin I converting enzyme from rabbit lung

J Med Chem 28: 1606-11 (1985)


BindingDB Entry DOI: 10.7270/Q2TT4RHP
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50021161
PNG
(1-{4-Carboxy-4-[(pyridine-2-carbonyl)-amino]-butyr...)
Show SMILES OC(=O)[C@@H](CCC(=O)N1[C@@H](Cc2ccccc12)C(O)=O)NC(=O)c1ccccn1
Show InChI InChI=1S/C20H19N3O6/c24-17(23-15-7-2-1-5-12(15)11-16(23)20(28)29)9-8-14(19(26)27)22-18(25)13-6-3-4-10-21-13/h1-7,10,14,16H,8-9,11H2,(H,22,25)(H,26,27)(H,28,29)/t14-,16+/m1/s1
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of angiotensin I converting enzyme from rabbit lung

J Med Chem 28: 1606-11 (1985)


BindingDB Entry DOI: 10.7270/Q2TT4RHP
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50021182
PNG
(1-[4-(2,6-Bis-benzyloxycarbonylamino-hexanoylamino...)
Show SMILES OC(=O)[C@@H](CCC(=O)N1[C@@H](Cc2ccccc12)C(O)=O)NC(=O)C(CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C36H40N4O10/c41-31(40-29-17-8-7-15-26(29)21-30(40)34(45)46)19-18-28(33(43)44)38-32(42)27(39-36(48)50-23-25-13-5-2-6-14-25)16-9-10-20-37-35(47)49-22-24-11-3-1-4-12-24/h1-8,11-15,17,27-28,30H,9-10,16,18-23H2,(H,37,47)(H,38,42)(H,39,48)(H,43,44)(H,45,46)/t27?,28-,30+/m1/s1
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of angiotensin I converting enzyme from rabbit lung

J Med Chem 28: 1606-11 (1985)


BindingDB Entry DOI: 10.7270/Q2TT4RHP
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50021159
PNG
(1-(4-Benzyloxycarbonylamino-4-carboxy-butyryl)-1,2...)
Show SMILES OC(=O)[C@@H](CCC(=O)N1C(CCc2ccccc12)C(O)=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C23H24N2O7/c26-20(25-18-9-5-4-8-16(18)10-12-19(25)22(29)30)13-11-17(21(27)28)24-23(31)32-14-15-6-2-1-3-7-15/h1-9,17,19H,10-14H2,(H,24,31)(H,27,28)(H,29,30)/t17-,19?/m1/s1
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of angiotensin I converting enzyme from rabbit lung

J Med Chem 28: 1606-11 (1985)


BindingDB Entry DOI: 10.7270/Q2TT4RHP
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50021167
PNG
(1-(4-Acetylamino-4-carboxy-butyryl)-2,3-dihydro-1H...)
Show SMILES CC(=O)N[C@H](CCC(=O)N1[C@@H](Cc2ccccc12)C(O)=O)C(O)=O
Show InChI InChI=1S/C16H18N2O6/c1-9(19)17-11(15(21)22)6-7-14(20)18-12-5-3-2-4-10(12)8-13(18)16(23)24/h2-5,11,13H,6-8H2,1H3,(H,17,19)(H,21,22)(H,23,24)/t11-,13+/m1/s1
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n/an/a 95n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of angiotensin I converting enzyme from rabbit lung

J Med Chem 28: 1606-11 (1985)


BindingDB Entry DOI: 10.7270/Q2TT4RHP
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50021169
PNG
(2-Benzyloxycarbonylamino-5-(2-carbamoyl-2,3-dihydr...)
Show SMILES NC(=O)[C@@H]1Cc2ccccc2N1C(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C22H23N3O6/c23-20(27)18-12-15-8-4-5-9-17(15)25(18)19(26)11-10-16(21(28)29)24-22(30)31-13-14-6-2-1-3-7-14/h1-9,16,18H,10-13H2,(H2,23,27)(H,24,30)(H,28,29)/t16-,18+/m1/s1
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n/an/a 160n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of angiotensin I converting enzyme from rabbit lung

J Med Chem 28: 1606-11 (1985)


BindingDB Entry DOI: 10.7270/Q2TT4RHP
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50021158
PNG
(1-[4-Carboxy-4-(2,6-diamino-hexanoylamino)-butyryl...)
Show SMILES NCCCCC(N)C(=O)N[C@H](CCC(=O)N1[C@@H](Cc2ccccc12)C(O)=O)C(O)=O
Show InChI InChI=1S/C20H28N4O6/c21-10-4-3-6-13(22)18(26)23-14(19(27)28)8-9-17(25)24-15-7-2-1-5-12(15)11-16(24)20(29)30/h1-2,5,7,13-14,16H,3-4,6,8-11,21-22H2,(H,23,26)(H,27,28)(H,29,30)/t13?,14-,16+/m1/s1
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of angiotensin I converting enzyme from rabbit lung

J Med Chem 28: 1606-11 (1985)


BindingDB Entry DOI: 10.7270/Q2TT4RHP
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50021180
PNG
(1-(4-Benzylamino-4-carboxy-butyryl)-2,3-dihydro-1H...)
Show SMILES OC(=O)[C@@H](CCC(=O)N1[C@@H](Cc2ccccc12)C(O)=O)NCc1ccccc1
Show InChI InChI=1S/C21H22N2O5/c24-19(23-17-9-5-4-8-15(17)12-18(23)21(27)28)11-10-16(20(25)26)22-13-14-6-2-1-3-7-14/h1-9,16,18,22H,10-13H2,(H,25,26)(H,27,28)/t16-,18+/m1/s1
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of angiotensin I converting enzyme from rabbit lung

J Med Chem 28: 1606-11 (1985)


BindingDB Entry DOI: 10.7270/Q2TT4RHP
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50021179
PNG
(1-(4-Benzyloxycarbonylamino-4-carboxy-butyryl)-2,3...)
Show SMILES OC(=O)[C@@H](CCC(=O)N1[C@@H](Cc2ccccc12)C(=O)OCc1cccnc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C28H27N3O7/c32-25(13-12-22(26(33)34)30-28(36)38-17-19-7-2-1-3-8-19)31-23-11-5-4-10-21(23)15-24(31)27(35)37-18-20-9-6-14-29-16-20/h1-11,14,16,22,24H,12-13,15,17-18H2,(H,30,36)(H,33,34)/t22-,24+/m1/s1
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of angiotensin I converting enzyme from rabbit lung

J Med Chem 28: 1606-11 (1985)


BindingDB Entry DOI: 10.7270/Q2TT4RHP
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50367236
PNG
(CHEMBL1169571)
Show SMILES OC(=O)[C@H](CCC(=O)N1C(Cc2ccccc12)C(O)=O)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C22H22N2O7/c25-19(24-17-9-5-4-8-15(17)12-18(24)21(28)29)11-10-16(20(26)27)23-22(30)31-13-14-6-2-1-3-7-14/h1-9,16,18H,10-13H2,(H,23,30)(H,26,27)(H,28,29)/t16-,18?/m0/s1
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of angiotensin I converting enzyme from rabbit lung

J Med Chem 28: 1606-11 (1985)


BindingDB Entry DOI: 10.7270/Q2TT4RHP
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50021178
PNG
(1-(4-Ethoxycarbonyl-4-phenoxycarbonylamino-butyryl...)
Show SMILES CCOC(=O)[C@@H](CCC(=O)N1[C@@H](Cc2ccccc12)C(O)=O)NC(=O)Oc1ccccc1
Show InChI InChI=1S/C23H24N2O7/c1-2-31-22(29)17(24-23(30)32-16-9-4-3-5-10-16)12-13-20(26)25-18-11-7-6-8-15(18)14-19(25)21(27)28/h3-11,17,19H,2,12-14H2,1H3,(H,24,30)(H,27,28)/t17-,19+/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of angiotensin I converting enzyme from rabbit lung

J Med Chem 28: 1606-11 (1985)


BindingDB Entry DOI: 10.7270/Q2TT4RHP
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50021177
PNG
(1-{4-Ethoxycarbonyl-4-[(pyridine-3-carbonyl)-amino...)
Show SMILES CCOC(=O)[C@@H](CCC(=O)N1[C@@H](Cc2ccccc12)C(O)=O)NC(=O)c1cccnc1
Show InChI InChI=1S/C22H23N3O6/c1-2-31-22(30)16(24-20(27)15-7-5-11-23-13-15)9-10-19(26)25-17-8-4-3-6-14(17)12-18(25)21(28)29/h3-8,11,13,16,18H,2,9-10,12H2,1H3,(H,24,27)(H,28,29)/t16-,18+/m1/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of angiotensin I converting enzyme from rabbit lung

J Med Chem 28: 1606-11 (1985)


BindingDB Entry DOI: 10.7270/Q2TT4RHP
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50021165
PNG
(1-(4-Benzyloxycarbonylamino-4-carboxy-butyryl)-2,3...)
Show SMILES CCOC(=O)[C@@H]1Cc2ccccc2N1C(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C24H26N2O7/c1-2-32-23(30)20-14-17-10-6-7-11-19(17)26(20)21(27)13-12-18(22(28)29)25-24(31)33-15-16-8-4-3-5-9-16/h3-11,18,20H,2,12-15H2,1H3,(H,25,31)(H,28,29)/t18-,20+/m1/s1
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n/an/a 4.70E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of angiotensin I converting enzyme from rabbit lung

J Med Chem 28: 1606-11 (1985)


BindingDB Entry DOI: 10.7270/Q2TT4RHP
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50021174
PNG
(1-[4-(Benzyl-phenylacetyl-amino)-4-carboxy-butyryl...)
Show SMILES OC(=O)[C@@H](CCC(=O)N1[C@@H](Cc2ccccc12)C(O)=O)N(Cc1ccccc1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C29H28N2O6/c32-26(31-23-14-8-7-13-22(23)18-25(31)29(36)37)16-15-24(28(34)35)30(19-21-11-5-2-6-12-21)27(33)17-20-9-3-1-4-10-20/h1-14,24-25H,15-19H2,(H,34,35)(H,36,37)/t24-,25+/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of angiotensin I converting enzyme from rabbit lung

J Med Chem 28: 1606-11 (1985)


BindingDB Entry DOI: 10.7270/Q2TT4RHP
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50021156
PNG
(1-(4-Amino-4-carboxy-butyryl)-2,3-dihydro-1H-indol...)
Show SMILES N[C@H](CCC(=O)N1[C@@H](Cc2ccccc12)C(O)=O)C(O)=O
Show InChI InChI=1S/C14H16N2O5/c15-9(13(18)19)5-6-12(17)16-10-4-2-1-3-8(10)7-11(16)14(20)21/h1-4,9,11H,5-7,15H2,(H,18,19)(H,20,21)/t9-,11+/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of angiotensin I converting enzyme from rabbit lung

J Med Chem 28: 1606-11 (1985)


BindingDB Entry DOI: 10.7270/Q2TT4RHP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%