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Compile Data Set for Download or QSAR

Found 796 hits of ic50 data for polymerid = 2161   
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


(Homo sapiens (human))
BDBM50272062
PNG
((2S,5S)-1-((S)-3-mercapto-2-methylpropanoyl)-5-(3-...)
Show SMILES C[C@H](CS)C(=O)N1[C@H](CC[C@H]1C(O)=O)SCCCc1ccccc1
Show InChI InChI=1S/C18H25NO3S2/c1-13(12-23)17(20)19-15(18(21)22)9-10-16(19)24-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,13,15-16,23H,5,8-12H2,1H3,(H,21,22)/t13-,15+,16+/m1/s1
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n/an/a 0.0290n/an/an/an/an/an/a



Santen Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of ACE (unknown origin)


Bioorg Med Chem Lett 18: 4529-32 (2008)

More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50367879
PNG
(LISINOPRIL)
Show SMILES NCCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29)/t16-,17-,18-/m0/s1
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n/an/a 0.100n/an/an/an/an/an/a



Institute of Biomedical Chemistry of Russian Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against Angiotensin I converting enzyme (ACE) from human blood serum


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50175518
PNG
((3R,7S)-7-((R)-2-Mercapto-3-phenyl-propionylamino)...)
Show SMILES OC(=O)[C@H]1CCCC2N1C(=O)[C@H](Cc1ccccc21)NC(=O)[C@H](S)Cc1ccccc1
Show InChI InChI=1S/C24H26N2O4S/c27-22(21(31)13-15-7-2-1-3-8-15)25-18-14-16-9-4-5-10-17(16)19-11-6-12-20(24(29)30)26(19)23(18)28/h1-5,7-10,18-21,31H,6,11-14H2,(H,25,27)(H,29,30)/t18-,19?,20+,21+/m0/s1
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n/an/a 0.110n/an/an/an/an/an/a



Organon Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against angiotensin I converting enzyme


J Med Chem 48: 6523-43 (2005)

More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50406389
PNG
(CHEMBL35561)
Show SMILES NCCCC[C@H](OP(O)(=O)CCCCc1ccccc1)C(=O)N(CC(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C25H33N2O8P/c26-14-6-4-11-22(35-36(31,32)15-7-5-10-19-8-2-1-3-9-19)25(30)27(17-24(28)29)20-12-13-21-23(16-20)34-18-33-21/h1-3,8-9,12-13,16,22H,4-7,10-11,14-15,17-18,26H2,(H,28,29)(H,31,32)/t22-/m0/s1
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n/an/a 0.115n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Inhibitory activity against angiotensin converting enzyme (ACE)


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (human))
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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n/an/a 0.120n/an/an/an/an/an/a



Dipartimento di Chimica

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACE by fluorimetry


Bioorg Med Chem Lett 19: 4715-9 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50406391
PNG
(CHEMBL35309)
Show SMILES NCCCC[C@H](OP(O)(=O)CCCCc1ccccc1)C(=O)N1C[C@H](C[C@H]1C(O)=O)c1ccccc1
Show InChI InChI=1S/C27H37N2O6P/c28-17-9-7-16-25(35-36(33,34)18-10-8-13-21-11-3-1-4-12-21)26(30)29-20-23(19-24(29)27(31)32)22-14-5-2-6-15-22/h1-6,11-12,14-15,23-25H,7-10,13,16-20,28H2,(H,31,32)(H,33,34)/t23-,24-,25-/m0/s1
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n/an/a 0.132n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Inhibitory activity against angiotensin converting enzyme (ACE)


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50272061
PNG
((2S,5S)-1-((S)-3-mercapto-2-methylpropanoyl)-5-(ph...)
Show SMILES C[C@H](CS)C(=O)N1[C@H](CC[C@H]1C(O)=O)SCCc1ccccc1
Show InChI InChI=1S/C17H23NO3S2/c1-12(11-22)16(19)18-14(17(20)21)7-8-15(18)23-10-9-13-5-3-2-4-6-13/h2-6,12,14-15,22H,7-11H2,1H3,(H,20,21)/t12-,14+,15+/m1/s1
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n/an/a 0.180n/an/an/an/an/an/a



Santen Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of ACE (unknown origin)


Bioorg Med Chem Lett 18: 4529-32 (2008)

More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50406942
PNG
(CHEMBL80665)
Show SMILES C[C@H](NC(CCC(=O)Nc1ccc(I)cc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C19H24IN3O6/c1-11(17(25)23-10-2-3-15(23)19(28)29)21-14(18(26)27)8-9-16(24)22-13-6-4-12(20)5-7-13/h4-7,11,14-15,21H,2-3,8-10H2,1H3,(H,22,24)(H,26,27)(H,28,29)/t11-,14?,15-/m0/s1
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n/an/a 0.229n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Inhibitory activity against angiotensin converting enzyme (ACE)


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50406908
PNG
(CHEMBL78629)
Show SMILES OC(=O)[C@@H](CCC(=O)N1[C@@H](Cc2ccccc12)C(O)=O)NC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C31H31N3O8/c35-27(34-25-14-8-7-13-22(25)18-26(34)30(39)40)16-15-23(29(37)38)32-28(36)24(17-20-9-3-1-4-10-20)33-31(41)42-19-21-11-5-2-6-12-21/h1-14,23-24,26H,15-19H2,(H,32,36)(H,33,41)(H,37,38)(H,39,40)/t23-,24?,26+/m1/s1
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n/an/a 0.251n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Inhibitory activity against angiotensin converting enzyme (ACE)


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50406375
PNG
(CHEMBL35682)
Show SMILES COc1ccc(cc1OC)N(CC(O)=O)C(=O)[C@H](CCCCN)OP(O)(=O)CCCCc1ccccc1
Show InChI InChI=1S/C26H37N2O8P/c1-34-22-15-14-21(18-24(22)35-2)28(19-25(29)30)26(31)23(13-6-8-16-27)36-37(32,33)17-9-7-12-20-10-4-3-5-11-20/h3-5,10-11,14-15,18,23H,6-9,12-13,16-17,19,27H2,1-2H3,(H,29,30)(H,32,33)/t23-/m0/s1
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n/an/a 0.288n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Inhibitory activity against angiotensin converting enzyme (ACE)


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50406380
PNG
(CHEMBL284734)
Show SMILES NCCCC[C@H](OP(O)(=O)CCCCc1ccccc1)C(=O)N1[C@@H](Cc2ccccc12)C(O)=O
Show InChI InChI=1S/C25H33N2O6P/c26-16-8-6-15-23(33-34(31,32)17-9-7-12-19-10-2-1-3-11-19)24(28)27-21-14-5-4-13-20(21)18-22(27)25(29)30/h1-5,10-11,13-14,22-23H,6-9,12,15-18,26H2,(H,29,30)(H,31,32)/t22-,23-/m0/s1
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n/an/a 0.295n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Inhibitory activity against angiotensin converting enzyme (ACE)


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50406392
PNG
(CHEMBL285935)
Show SMILES NCCCC[C@H](OP(O)(=O)CCCCc1ccccc1)C(=O)N(CC(O)=O)C1CCCCC1
Show InChI InChI=1S/C24H39N2O6P/c25-17-9-7-16-22(24(29)26(19-23(27)28)21-14-5-2-6-15-21)32-33(30,31)18-10-8-13-20-11-3-1-4-12-20/h1,3-4,11-12,21-22H,2,5-10,13-19,25H2,(H,27,28)(H,30,31)/t22-/m0/s1
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n/an/a 0.295n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Inhibitory activity against angiotensin converting enzyme (ACE)


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50084629
PNG
(1-(3-Benzoylsulfanyl-2-methyl-propionyl)-4-phenyls...)
Show SMILES C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@H](C[C@H]1C(O)=O)Sc1ccccc1
Show InChI InChI=1S/C22H23NO4S2/c1-15(14-28-22(27)16-8-4-2-5-9-16)20(24)23-13-18(12-19(23)21(25)26)29-17-10-6-3-7-11-17/h2-11,15,18-19H,12-14H2,1H3,(H,25,26)/t15-,18+,19+/m1/s1
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n/an/a 0.400n/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Inhibitory activity against angiotensin I converting enzyme (ACE)


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50406394
PNG
(CHEMBL286339)
Show SMILES NCCCC[C@H](OP(O)(=O)CCCCc1ccccc1)C(=O)N1C[C@H](C[C@H]1C(O)=O)C1CCCCC1
Show InChI InChI=1S/C27H43N2O6P/c28-17-9-7-16-25(35-36(33,34)18-10-8-13-21-11-3-1-4-12-21)26(30)29-20-23(19-24(29)27(31)32)22-14-5-2-6-15-22/h1,3-4,11-12,22-25H,2,5-10,13-20,28H2,(H,31,32)(H,33,34)/t23-,24-,25-/m0/s1
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n/an/a 0.490n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Inhibitory activity against angiotensin converting enzyme (ACE)


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50017125
PNG
(1-[6-Amino-2-(1-carboxy-3-phenyl-propylamino)-hexa...)
Show SMILES NCCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CC2(C[C@H]1C(O)=O)SCCS2
Show InChI InChI=1S/C23H33N3O5S2/c24-11-5-4-8-17(25-18(21(28)29)10-9-16-6-2-1-3-7-16)20(27)26-15-23(32-12-13-33-23)14-19(26)22(30)31/h1-3,6-7,17-19,25H,4-5,8-15,24H2,(H,28,29)(H,30,31)/t17-,18-,19-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Compound tested in vitro for inhibition of Angiotensin I converting enzyme


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50406370
PNG
(CHEMBL34832)
Show SMILES NCCCC[C@H](OP(O)(=O)CCCCc1ccccc1)C(=O)N1C[C@H](C[C@H]1C(O)=O)Sc1ccccc1
Show InChI InChI=1S/C27H37N2O6PS/c28-17-9-7-16-25(35-36(33,34)18-10-8-13-21-11-3-1-4-12-21)26(30)29-20-23(19-24(29)27(31)32)37-22-14-5-2-6-15-22/h1-6,11-12,14-15,23-25H,7-10,13,16-20,28H2,(H,31,32)(H,33,34)/t23-,24-,25-/m0/s1
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n/an/a 0.525n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Inhibitory activity against angiotensin converting enzyme (ACE)


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50406369
PNG
(CHEMBL289022)
Show SMILES CS[C@@H]1C[C@H](N(C1)C(=O)[C@H](CCCCN)OP(O)(=O)CCCCc1ccccc1)C(O)=O
Show InChI InChI=1S/C22H35N2O6PS/c1-32-18-15-19(22(26)27)24(16-18)21(25)20(12-5-7-13-23)30-31(28,29)14-8-6-11-17-9-3-2-4-10-17/h2-4,9-10,18-20H,5-8,11-16,23H2,1H3,(H,26,27)(H,28,29)/t18-,19+,20+/m1/s1
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n/an/a 0.525n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Inhibitory activity against angiotensin converting enzyme (ACE)


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50121930
PNG
(6-(1-Carboxy-3-phenyl-propylamino)-5-oxo-octahydro...)
Show SMILES OC(=O)C(CCc1ccccc1)N[C@H]1CCC[C@H]2SC[C@H](N2C1=O)C(O)=O
Show InChI InChI=1S/C19H24N2O5S/c22-17-13(7-4-8-16-21(17)15(11-27-16)19(25)26)20-14(18(23)24)10-9-12-5-2-1-3-6-12/h1-3,5-6,13-16,20H,4,7-11H2,(H,23,24)(H,25,26)/t13-,14?,15-,16+/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme (ACE) in Bothrops jararaca venom


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50452224
PNG
(CHEMBL340528)
Show SMILES OC(=O)C(CCc1ccccc1)N[C@H]1CCCC2SC[C@H](N2C1=O)C(O)=O
Show InChI InChI=1S/C19H24N2O5S/c22-17-13(7-4-8-16-21(17)15(11-27-16)19(25)26)20-14(18(23)24)10-9-12-5-2-1-3-6-12/h1-3,5-6,13-16,20H,4,7-11H2,(H,23,24)(H,25,26)/t13-,14?,15-,16?/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50121930
PNG
(6-(1-Carboxy-3-phenyl-propylamino)-5-oxo-octahydro...)
Show SMILES OC(=O)C(CCc1ccccc1)N[C@H]1CCC[C@H]2SC[C@H](N2C1=O)C(O)=O
Show InChI InChI=1S/C19H24N2O5S/c22-17-13(7-4-8-16-21(17)15(11-27-16)19(25)26)20-14(18(23)24)10-9-12-5-2-1-3-6-12/h1-3,5-6,13-16,20H,4,7-11H2,(H,23,24)(H,25,26)/t13-,14?,15-,16+/m0/s1
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n/an/a 0.603n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Inhibitory activity against angiotensin converting enzyme (ACE)


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50406384
PNG
(CHEMBL34650)
Show SMILES NCCCC[C@H](OP(O)(=O)CCCCc1ccccc1)C(=O)N1CC2(C[C@H]1C(O)=O)SCCS2
Show InChI InChI=1S/C23H35N2O6PS2/c24-12-6-4-11-20(31-32(29,30)13-7-5-10-18-8-2-1-3-9-18)21(26)25-17-23(33-14-15-34-23)16-19(25)22(27)28/h1-3,8-9,19-20H,4-7,10-17,24H2,(H,27,28)(H,29,30)/t19-,20-/m0/s1
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n/an/a 0.631n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Inhibitory activity against angiotensin converting enzyme (ACE)


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50406378
PNG
(CHEMBL431707)
Show SMILES NCCCC[C@H](OP(O)(=O)CCCCc1ccccc1)C(=O)N1C[C@@H](C[C@H]1C(O)=O)Sc1ccccc1
Show InChI InChI=1S/C27H37N2O6PS/c28-17-9-7-16-25(35-36(33,34)18-10-8-13-21-11-3-1-4-12-21)26(30)29-20-23(19-24(29)27(31)32)37-22-14-5-2-6-15-22/h1-6,11-12,14-15,23-25H,7-10,13,16-20,28H2,(H,31,32)(H,33,34)/t23-,24+,25+/m1/s1
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n/an/a 0.776n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Inhibitory activity against angiotensin converting enzyme (ACE)


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50406942
PNG
(CHEMBL80665)
Show SMILES C[C@H](NC(CCC(=O)Nc1ccc(I)cc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C19H24IN3O6/c1-11(17(25)23-10-2-3-15(23)19(28)29)21-14(18(26)27)8-9-16(24)22-13-6-4-12(20)5-7-13/h4-7,11,14-15,21H,2-3,8-10H2,1H3,(H,22,24)(H,26,27)(H,28,29)/t11-,14?,15-/m0/s1
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n/an/a 0.794n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of angiotensin I converting enzyme in silico


J Med Chem 40: 3161-72 (1997)

More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50017122
PNG
(7-[2-(1-Carboxy-3-phenyl-propylamino)-propionyl]-1...)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CC2(C[C@H]1C(O)=O)SCCS2
Show InChI InChI=1S/C20H26N2O5S2/c1-13(21-15(18(24)25)8-7-14-5-3-2-4-6-14)17(23)22-12-20(28-9-10-29-20)11-16(22)19(26)27/h2-6,13,15-16,21H,7-12H2,1H3,(H,24,25)(H,26,27)/t13-,15-,16-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Compound tested in vitro for inhibition of Angiotensin I converting enzyme


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50406372
PNG
(CHEMBL33025)
Show SMILES NCCCC[C@H](OP(O)(=O)CCCCc1ccccc1)C(=O)N1C[C@H](O)C[C@H]1C(O)=O
Show InChI InChI=1S/C21H33N2O7P/c22-12-6-4-11-19(20(25)23-15-17(24)14-18(23)21(26)27)30-31(28,29)13-7-5-10-16-8-2-1-3-9-16/h1-3,8-9,17-19,24H,4-7,10-15,22H2,(H,26,27)(H,28,29)/t17-,18+,19+/m1/s1
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n/an/a 0.871n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Inhibitory activity against angiotensin converting enzyme (ACE)


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50406373
PNG
(CHEMBL284843)
Show SMILES NCCCC[C@H](OP(O)(=O)CCCCc1ccccc1)C(=O)N1C[C@@H](Cc2ccccc2)C[C@H]1C(O)=O
Show InChI InChI=1S/C28H39N2O6P/c29-17-9-7-16-26(36-37(34,35)18-10-8-13-22-11-3-1-4-12-22)27(31)30-21-24(20-25(30)28(32)33)19-23-14-5-2-6-15-23/h1-6,11-12,14-15,24-26H,7-10,13,16-21,29H2,(H,32,33)(H,34,35)/t24-,25-,26-/m0/s1
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n/an/a 0.891n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Inhibitory activity against angiotensin converting enzyme (ACE)


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50272145
PNG
((2S,5S)-1-((S)-3-Mercapto-2-methyl-propionyl)-5-(3...)
Show SMILES C[C@H](CS)C(=O)N1[C@H](CC[C@H]1C(O)=O)SCc1cccc(C)c1
Show InChI InChI=1S/C17H23NO3S2/c1-11-4-3-5-13(8-11)10-23-15-7-6-14(17(20)21)18(15)16(19)12(2)9-22/h3-5,8,12,14-15,22H,6-7,9-10H2,1-2H3,(H,20,21)/t12-,14+,15+/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



Santen Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of ACE (unknown origin)


Bioorg Med Chem Lett 18: 4529-32 (2008)

More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50369775
PNG
(Mavik | RU-44570 | TRANDOLAPRIL)
Show SMILES CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](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 0.930n/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Inhibitory activity against angiotensin I converting enzyme (ACE)


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50084622
PNG
((2S,4S)-4-cyclohexyl-1-[2-[(2-methyl-1-propanoylox...)
Show SMILES CCC(=O)OC(OP(=O)(CCCc1ccccc1)CC(=O)N1C[C@@H](C[C@H]1C(O)=O)C1CCCCC1)C(C)C
Show InChI InChI=1S/C29H44NO7P/c1-4-27(32)36-29(21(2)3)37-38(35,17-11-14-22-12-7-5-8-13-22)20-26(31)30-19-24(18-25(30)28(33)34)23-15-9-6-10-16-23/h5,7-8,12-13,21,23-25,29H,4,6,9-11,14-20H2,1-3H3,(H,33,34)/t24-,25+,29?,38?/m1/s1
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n/an/a 1n/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Inhibitory activity against angiotensin I converting enzyme (ACE)


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50146428
PNG
((S)-1-((1R,5S)-5-Benzoylamino-2-methyl-4-oxo-6-phe...)
Show SMILES C[C@H](CC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C25H28N2O5/c1-17(24(30)27-14-8-13-21(27)25(31)32)15-22(28)20(16-18-9-4-2-5-10-18)26-23(29)19-11-6-3-7-12-19/h2-7,9-12,17,20-21H,8,13-16H2,1H3,(H,26,29)(H,31,32)/t17-,20+,21+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of ACE


J Med Chem 54: 2529-91 (2011)

More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50130714
PNG
(1-(3-Mercapto-propionyl)-6-methyl-piperidine-2-car...)
Show SMILES CC1CCCC(N1C(=O)CCS)C(O)=O
Show InChI InChI=1S/C10H17NO3S/c1-7-3-2-4-8(10(13)14)11(7)9(12)5-6-15/h7-8,15H,2-6H2,1H3,(H,13,14)
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n/an/a 1n/an/an/an/an/an/a



Institute of Biomedical Chemistry of Russian Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against Angiotensin I converting enzyme (ACE) from bovine kidney


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50406911
PNG
(CHEMBL310750)
Show SMILES OC(=O)CCn1c(=O)n2CC=C[C@@H](C(O)=O)n2c1=O
Show InChI InChI=1S/C10H11N3O6/c14-7(15)3-5-11-9(18)12-4-1-2-6(8(16)17)13(12)10(11)19/h1-2,6H,3-5H2,(H,14,15)(H,16,17)/t6-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Inhibitory activity against angiotensin converting enzyme (ACE)


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50406387
PNG
(CHEMBL284345)
Show SMILES NCCCC[C@H](OP(O)(=O)CCCCc1ccccc1)C(=O)N(CC(O)=O)c1ccccc1
Show InChI InChI=1S/C24H33N2O6P/c25-17-9-7-16-22(24(29)26(19-23(27)28)21-14-5-2-6-15-21)32-33(30,31)18-10-8-13-20-11-3-1-4-12-20/h1-6,11-12,14-15,22H,7-10,13,16-19,25H2,(H,27,28)(H,30,31)/t22-/m0/s1
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n/an/a 1.07n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Inhibitory activity against angiotensin converting enzyme (ACE)


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50406909
PNG
(CHEMBL80779)
Show SMILES C[C@H](NC(CCc1cccc2ccccc12)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C22H26N2O5/c1-14(20(25)24-13-5-10-19(24)22(28)29)23-18(21(26)27)12-11-16-8-4-7-15-6-2-3-9-17(15)16/h2-4,6-9,14,18-19,23H,5,10-13H2,1H3,(H,26,27)(H,28,29)/t14-,18?,19-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Inhibitory activity against angiotensin converting enzyme (ACE)


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50452220
PNG
(CHEMBL2304318)
Show SMILES C[C@H](N[C@](C)(CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C19H26N2O5/c1-13(16(22)21-12-6-9-15(21)17(23)24)20-19(2,18(25)26)11-10-14-7-4-3-5-8-14/h3-5,7-8,13,15,20H,6,9-12H2,1-2H3,(H,23,24)(H,25,26)/t13-,15-,19+/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50367254
PNG
(ENALAPRILAT)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
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 1.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme (ACE) in Bothrops jararaca venom


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50367879
PNG
(LISINOPRIL)
Show SMILES NCCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29)/t16-,17-,18-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Inhibitory activity against angiotensin converting enzyme (ACE)


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50021129
PNG
(1-[2-(1-Carboxy-3-phenyl-propylamino)-propionyl]-p...)
Show SMILES C[C@H](NC(CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
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 1.20n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Inhibitory activity against angiotensin converting enzyme (ACE)


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50367879
PNG
(LISINOPRIL)
Show SMILES NCCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29)/t16-,17-,18-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme (ACE) in Bothrops jararaca venom


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50367254
PNG
(ENALAPRILAT)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
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 1.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against Angiotensin I converting enzyme


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50367254
PNG
(ENALAPRILAT)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
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 1.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Angiotensin I converting enzyme


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50367879
PNG
(LISINOPRIL)
Show SMILES NCCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29)/t16-,17-,18-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50367254
PNG
(ENALAPRILAT)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
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 1.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50020402
PNG
(1-Benzyl-3-[2-(1-carboxy-nonylamino)-propionyl]-2-...)
Show SMILES CCCCCCCC[C@H](N[C@@H](C)C(=O)N1[C@@H](CN(Cc2ccccc2)C1=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C24H35N3O6/c1-3-4-5-6-7-11-14-19(22(29)30)25-17(2)21(28)27-20(23(31)32)16-26(24(27)33)15-18-12-9-8-10-13-18/h8-10,12-13,17,19-20,25H,3-7,11,14-16H2,1-2H3,(H,29,30)(H,31,32)/t17-,19-,20-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme from pig renal cortex, hippuryl-histidyl-leucine as substrate


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50020383
PNG
(3-[2-(1-Carboxy-nonylamino)-propionyl]-1-methyl-2-...)
Show SMILES CCCCCCCC[C@H](N[C@@H](C)C(=O)N1[C@@H](CN(C)C1=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C18H31N3O6/c1-4-5-6-7-8-9-10-13(16(23)24)19-12(2)15(22)21-14(17(25)26)11-20(3)18(21)27/h12-14,19H,4-11H2,1-3H3,(H,23,24)(H,25,26)/t12-,13-,14-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme from pig renal cortex, hippuryl-histidyl-leucine as substrate


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (human))
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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n/an/a 1.60n/an/an/an/an/an/a



RIKEN Center for Sustainable Resource Science

Curated by ChEMBL


Assay Description
Inhibition of ACE (unknown origin) using 3-Hydroxybutylyl-Gly-Gly-Gly substrate assessed as reduction in 3-Hyroxybutylic acid generation incubated fo...


J Nat Prod 78: 1179-83 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50021153
PNG
(1H-1-Benzazepine-1-acetic acid, 3-((1-(ethoxycarbo...)
Show SMILES CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCc2ccccc2N(CC(O)=O)C1=O
Show InChI InChI=1S/C24H28N2O5/c1-2-31-24(30)20(14-12-17-8-4-3-5-9-17)25-19-15-13-18-10-6-7-11-21(18)26(23(19)29)16-22(27)28/h3-11,19-20,25H,2,12-16H2,1H3,(H,27,28)/t19-,20-/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Inhibitory activity against angiotensin I converting enzyme (ACE)


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50020382
PNG
(3-[2-(1-Carboxy-3-phenyl-propylamino)-propionyl]-1...)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1[C@@H](CN(C)C1=O)C(O)=O
Show InChI InChI=1S/C18H23N3O6/c1-11(15(22)21-14(17(25)26)10-20(2)18(21)27)19-13(16(23)24)9-8-12-6-4-3-5-7-12/h3-7,11,13-14,19H,8-10H2,1-2H3,(H,23,24)(H,25,26)/t11-,13-,14-/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme from pig renal cortex, hippuryl-histidyl-leucine as substrate


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50021135
PNG
(2-(1-Carboxymethyl-2-oxo-2,3,4,5-tetrahydro-1H-ben...)
Show SMILES OC(=O)CN1c2ccccc2CC[C@H](NC(CCc2ccccc2)C(O)=O)C1=O
Show InChI InChI=1S/C22H24N2O5/c25-20(26)14-24-19-9-5-4-8-16(19)11-13-17(21(24)27)23-18(22(28)29)12-10-15-6-2-1-3-7-15/h1-9,17-18,23H,10-14H2,(H,25,26)(H,28,29)/t17-,18?/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Inhibitory activity against angiotensin converting enzyme (ACE)


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50020386
PNG
(1-Benzyl-3-[2-(1-carboxy-3-phenyl-propylamino)-pro...)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1[C@@H](CN(Cc2ccccc2)C1=O)C(O)=O
Show InChI InChI=1S/C24H27N3O6/c1-16(25-19(22(29)30)13-12-17-8-4-2-5-9-17)21(28)27-20(23(31)32)15-26(24(27)33)14-18-10-6-3-7-11-18/h2-11,16,19-20,25H,12-15H2,1H3,(H,29,30)(H,31,32)/t16-,19-,20-/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme from pig renal cortex, hippuryl-histidyl-leucine as substrate


Citation and Details
More data for this
Ligand-Target Pair
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