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Compile Data Set for Download or QSAR

Found 95 hits of ki data for polymerid = 2161   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM?mit=repeat
Kd
nM
EC50/IC50
nM?mit=repeat
koff
s-1
kon
M-1s-1
pHTemp
°C
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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132n/an/an/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Inhibition of recombinant ACE N domain


Bioorg Med Chem Lett 16: 4612-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.003
BindingDB Entry DOI: 10.7270/Q2B56JC8
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50303320
PNG
((S)-2-[(R)-3-[((R)-1-Benzyloxycarbonylamino-2-phen...)
Show SMILES OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1cc(no1)-c1ccccc1)CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C38H38N3O9P/c42-31-18-16-27(17-19-31)20-34(37(44)45)39-36(43)30(22-32-23-33(41-50-32)29-14-8-3-9-15-29)25-51(47,48)35(21-26-10-4-1-5-11-26)40-38(46)49-24-28-12-6-2-7-13-28/h1-19,23,30,34-35,42H,20-22,24-25H2,(H,39,43)(H,40,46)(H,44,45)(H,47,48)/t30-,34-,35+/m0/s1
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150n/an/an/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human ACE N-terminal domain expressed in CHO cells after 90 mins by fluorescence assay


J Med Chem 54: 5955-80 (2011)


Article DOI: 10.1021/jm200587f
BindingDB Entry DOI: 10.7270/Q2PV6MGF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50010479
PNG
(CHEMBL3264010)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)P(O)(O)=O
Show InChI InChI=1S/C25H34N3O7P/c1-4-16(2)23(26-17(3)29)25(32)27-21(14-18-8-6-5-7-9-18)24(31)28-22(36(33,34)35)15-19-10-12-20(30)13-11-19/h5-13,16,21-23,30H,4,14-15H2,1-3H3,(H,26,29)(H,27,32)(H,28,31)(H2,33,34,35)/t16-,21-,22+,23-/m0/s1
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170n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ACE C-terminal domain using Cbz-Phe-His-Leu-OH substrate


Citation and Details

Article DOI: 10.1021/ml4004588
BindingDB Entry DOI: 10.7270/Q20C4X8P
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50411729
PNG
(CHEMBL269996)
Show SMILES CC[C@H](C)[C@H](S)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C21H25NO3S/c1-3-14(2)19(26)20(23)22-18(21(24)25)13-15-9-11-17(12-10-15)16-7-5-4-6-8-16/h4-12,14,18-19,26H,3,13H2,1-2H3,(H,22,23)(H,24,25)/t14-,18-,19-/m0/s1
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200n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACE by fluorescence assay


Bioorg Med Chem Lett 18: 732-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.048
BindingDB Entry DOI: 10.7270/Q2GT5PCB
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50411733
PNG
(CHEMBL269997)
Show SMILES CC(C)[C@H](S)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C20H23NO3S/c1-13(2)18(25)19(22)21-17(20(23)24)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,13,17-18,25H,12H2,1-2H3,(H,21,22)(H,23,24)/t17-,18-/m0/s1
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200n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACE by fluorescence assay


Bioorg Med Chem Lett 18: 732-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.048
BindingDB Entry DOI: 10.7270/Q2GT5PCB
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50411723
PNG
(CHEMBL272925)
Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@@H](S)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C28H25NO3S/c30-27(26(33)18-20-12-15-22-8-4-5-9-24(22)16-20)29-25(28(31)32)17-19-10-13-23(14-11-19)21-6-2-1-3-7-21/h1-16,25-26,33H,17-18H2,(H,29,30)(H,31,32)/t25-,26-/m0/s1
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210n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACE by fluorescence assay


Bioorg Med Chem Lett 18: 732-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.048
BindingDB Entry DOI: 10.7270/Q2GT5PCB
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50303328
PNG
((2S)-2-({3-[Hydroxyl(2-phenyl-(1R)-1{[(benzyloxy)c...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cc(no1)-c1ccccc1)CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C38H38N3O8P/c42-36(39-34(37(43)44)21-27-13-5-1-6-14-27)31(23-32-24-33(41-49-32)30-19-11-4-12-20-30)26-50(46,47)35(22-28-15-7-2-8-16-28)40-38(45)48-25-29-17-9-3-10-18-29/h1-20,24,31,34-35H,21-23,25-26H2,(H,39,42)(H,40,45)(H,43,44)(H,46,47)/t31-,34-,35+/m0/s1
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340n/an/an/an/an/an/an/an/a



CEA, DSV, Service d'Ingenierie Moleculaire des Proteines (SIMOPRO)

Curated by ChEMBL


Assay Description
Inhibition of human somatic ACE in presence of 1:50 diluted SHR rat plasma


J Med Chem 53: 208-20 (2010)


Article DOI: 10.1021/jm9010803
BindingDB Entry DOI: 10.7270/Q2736R06
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50411605
PNG
(CHEMBL252391)
Show SMILES CC[C@@H](C)[C@H](S)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C21H25NO3S/c1-3-14(2)19(26)20(23)22-18(21(24)25)13-15-9-11-17(12-10-15)16-7-5-4-6-8-16/h4-12,14,18-19,26H,3,13H2,1-2H3,(H,22,23)(H,24,25)/t14-,18+,19+/m1/s1
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490n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACE by fluorescence assay


Bioorg Med Chem Lett 18: 732-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.048
BindingDB Entry DOI: 10.7270/Q2GT5PCB
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50303323
PNG
((2S)-2-({3-[Hydroxyl(2-phenyl-(1R)-1-{[(benzyloxy)...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1cc(no1)-c1ccccc1)CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C40H39N4O8P/c45-38(42-36(39(46)47)22-30-24-41-34-19-11-10-18-33(30)34)31(21-32-23-35(44-52-32)29-16-8-3-9-17-29)26-53(49,50)37(20-27-12-4-1-5-13-27)43-40(48)51-25-28-14-6-2-7-15-28/h1-19,23-24,31,36-37,41H,20-22,25-26H2,(H,42,45)(H,43,48)(H,46,47)(H,49,50)/t31-,36-,37+/m0/s1
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500n/an/an/an/an/an/an/an/a



CEA, DSV, Service d'Ingenierie Moleculaire des Proteines (SIMOPRO)

Curated by ChEMBL


Assay Description
Inhibition of human somatic ACE in presence of 1:100 diluted SHR rat plasma


J Med Chem 53: 208-20 (2010)


Article DOI: 10.1021/jm9010803
BindingDB Entry DOI: 10.7270/Q2736R06
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50286724
PNG
((S)-3-Biphenyl-4-yl-2-((R)-2-mercapto-3-phenyl-pro...)
Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](S)Cc1ccccc1
Show InChI InChI=1S/C24H23NO3S/c26-23(22(29)16-17-7-3-1-4-8-17)25-21(24(27)28)15-18-11-13-20(14-12-18)19-9-5-2-6-10-19/h1-14,21-22,29H,15-16H2,(H,25,26)(H,27,28)/t21-,22+/m0/s1
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520n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACE by fluorescence assay


Bioorg Med Chem Lett 18: 732-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.048
BindingDB Entry DOI: 10.7270/Q2GT5PCB
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50411728
PNG
(CHEMBL257229)
Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@@H](S)C1CCC1
Show InChI InChI=1S/C21H23NO3S/c23-20(19(26)17-7-4-8-17)22-18(21(24)25)13-14-9-11-16(12-10-14)15-5-2-1-3-6-15/h1-3,5-6,9-12,17-19,26H,4,7-8,13H2,(H,22,23)(H,24,25)/t18-,19-/m0/s1
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620n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACE by fluorescence assay


Bioorg Med Chem Lett 18: 732-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.048
BindingDB Entry DOI: 10.7270/Q2GT5PCB
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50411737
PNG
(CHEMBL404117)
Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@@H](S)C1CCCC1
Show InChI InChI=1S/C22H25NO3S/c24-21(20(27)18-8-4-5-9-18)23-19(22(25)26)14-15-10-12-17(13-11-15)16-6-2-1-3-7-16/h1-3,6-7,10-13,18-20,27H,4-5,8-9,14H2,(H,23,24)(H,25,26)/t19-,20-/m0/s1
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700n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACE by fluorescence assay


Bioorg Med Chem Lett 18: 732-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.048
BindingDB Entry DOI: 10.7270/Q2GT5PCB
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50411724
PNG
(CHEMBL271224)
Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@@H](S)CC1CCCCC1
Show InChI InChI=1S/C24H29NO3S/c26-23(22(29)16-17-7-3-1-4-8-17)25-21(24(27)28)15-18-11-13-20(14-12-18)19-9-5-2-6-10-19/h2,5-6,9-14,17,21-22,29H,1,3-4,7-8,15-16H2,(H,25,26)(H,27,28)/t21-,22-/m0/s1
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840n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACE by fluorescence assay


Bioorg Med Chem Lett 18: 732-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.048
BindingDB Entry DOI: 10.7270/Q2GT5PCB
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50303323
PNG
((2S)-2-({3-[Hydroxyl(2-phenyl-(1R)-1-{[(benzyloxy)...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1cc(no1)-c1ccccc1)CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C40H39N4O8P/c45-38(42-36(39(46)47)22-30-24-41-34-19-11-10-18-33(30)34)31(21-32-23-35(44-52-32)29-16-8-3-9-17-29)26-53(49,50)37(20-27-12-4-1-5-13-27)43-40(48)51-25-28-14-6-2-7-15-28/h1-19,23-24,31,36-37,41H,20-22,25-26H2,(H,42,45)(H,43,48)(H,46,47)(H,49,50)/t31-,36-,37+/m0/s1
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1.51E+3n/an/an/an/an/an/an/an/a



CEA, DSV, Service d'Ingenierie Moleculaire des Proteines (SIMOPRO)

Curated by ChEMBL


Assay Description
Inhibition of human somatic ACE in presence of 1:100 diluted SHR rat plasma complemented with 5 uM serum albumin


J Med Chem 53: 208-20 (2010)


Article DOI: 10.1021/jm9010803
BindingDB Entry DOI: 10.7270/Q2736R06
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50303323
PNG
((2S)-2-({3-[Hydroxyl(2-phenyl-(1R)-1-{[(benzyloxy)...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1cc(no1)-c1ccccc1)CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C40H39N4O8P/c45-38(42-36(39(46)47)22-30-24-41-34-19-11-10-18-33(30)34)31(21-32-23-35(44-52-32)29-16-8-3-9-17-29)26-53(49,50)37(20-27-12-4-1-5-13-27)43-40(48)51-25-28-14-6-2-7-15-28/h1-19,23-24,31,36-37,41H,20-22,25-26H2,(H,42,45)(H,43,48)(H,46,47)(H,49,50)/t31-,36-,37+/m0/s1
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1.52E+3n/an/an/an/an/an/an/an/a



CEA, DSV, Service d'Ingenierie Moleculaire des Proteines (SIMOPRO)

Curated by ChEMBL


Assay Description
Inhibition of human somatic ACE in presence of 1:50 diluted SHR rat plasma


J Med Chem 53: 208-20 (2010)


Article DOI: 10.1021/jm9010803
BindingDB Entry DOI: 10.7270/Q2736R06
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50303327
PNG
((2S)-2-((1S,2S)-2-(((R)-1-(benzyloxycarbonylamino)...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1=C(CCC1)P(O)(O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C33H36N3O7P/c37-31(35-28(32(38)39)19-24-20-34-27-16-8-7-14-25(24)27)26-15-9-17-29(26)44(41,42)30(18-22-10-3-1-4-11-22)36-33(40)43-21-23-12-5-2-6-13-23/h1-8,10-14,16,20,28,30,34,41-42,44H,9,15,17-19,21H2,(H,35,37)(H,36,40)(H,38,39)/t28-,30+/m0/s1
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2.50E+3n/an/an/an/an/an/an/an/a



CEA, DSV, Service d'Ingenierie Moleculaire des Proteines (SIMOPRO)

Curated by ChEMBL


Assay Description
Inhibition of human somatic ACE N-terminal domain


J Med Chem 53: 208-20 (2010)


Article DOI: 10.1021/jm9010803
BindingDB Entry DOI: 10.7270/Q2736R06
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50411725
PNG
(CHEMBL271223)
Show SMILES CC(C)(C)C[C@H](S)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C22H27NO3S/c1-22(2,3)14-19(27)20(24)23-18(21(25)26)13-15-9-11-17(12-10-15)16-7-5-4-6-8-16/h4-12,18-19,27H,13-14H2,1-3H3,(H,23,24)(H,25,26)/t18-,19-/m0/s1
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2.70E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACE by fluorescence assay


Bioorg Med Chem Lett 18: 732-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.048
BindingDB Entry DOI: 10.7270/Q2GT5PCB
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50411732
PNG
(CHEMBL404044)
Show SMILES CC(C)(S)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C19H21NO3S/c1-19(2,24)18(23)20-16(17(21)22)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11,16,24H,12H2,1-2H3,(H,20,23)(H,21,22)/t16-/m0/s1
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3.40E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACE by fluorescence assay


Bioorg Med Chem Lett 18: 732-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.048
BindingDB Entry DOI: 10.7270/Q2GT5PCB
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50189452
PNG
((S)-2-((S)-6-amino-1-((S)-1-carboxy-2-(1H-indol-3-...)
Show SMILES NCCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C27H34N4O5/c28-15-7-6-12-22(30-23(26(33)34)14-13-18-8-2-1-3-9-18)25(32)31-24(27(35)36)16-19-17-29-21-11-5-4-10-20(19)21/h1-5,8-11,17,22-24,29-30H,6-7,12-16,28H2,(H,31,32)(H,33,34)(H,35,36)/t22-,23-,24-/m0/s1
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7.00E+3n/an/an/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Inhibition of testis ACE C domain


Bioorg Med Chem Lett 16: 4616-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.004
BindingDB Entry DOI: 10.7270/Q2KP81SJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50393213
PNG
(CHEMBL1235767)
Show SMILES C[C@H](C[P@](O)(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](C)C(N)=O
Show InChI InChI=1S/C21H31N4O8P/c1-12(20(30)23-13(2)19(22)29)11-34(32,33)17(9-15-7-5-4-6-8-15)25-21(31)16(10-18(27)28)24-14(3)26/h4-8,12-13,16-17H,9-11H2,1-3H3,(H2,22,29)(H,23,30)(H,24,26)(H,25,31)(H,27,28)(H,32,33)/t12-,13+,16+,17-/m1/s1
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7.50E+3n/an/an/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human ACE C-terminal domain expressed in CHO cells after 90 mins by fluorescence assay


J Med Chem 54: 5955-80 (2011)


Article DOI: 10.1021/jm200587f
BindingDB Entry DOI: 10.7270/Q2PV6MGF
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM21470
PNG
(2-benzyl-3-({1-[2-acetamido-3-(1H-imidazol-4-yl)pr...)
Show SMILES CC(=O)NC(Cc1cnc[nH]1)C(=O)N1CCC=C1P(O)(O)CC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C22H29N4O6P/c1-15(27)25-19(11-18-12-23-14-24-18)21(28)26-9-5-8-20(26)33(31,32)13-17(22(29)30)10-16-6-3-2-4-7-16/h2-4,6-8,12,14,17,19,31-33H,5,9-11,13H2,1H3,(H,23,24)(H,25,27)(H,29,30)
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>1.00E+4>-6.82n/an/an/an/an/a6.825



University of Athens



Assay Description
Continuous assays were performed by recording the fluorescence increase at 405 nm (excitation@ 320 nm) induced by the cleavage of fluorogenic substra...


J Med Chem 51: 2216-2226 (2008)


Article DOI: 10.1021/jm701275z
BindingDB Entry DOI: 10.7270/Q2QF8R4J
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM21473
PNG
(3-{[1-(2-acetamido-4-methylpentanoyl)pyrrolidin-2-...)
Show SMILES CC(C)CC(NC(C)=O)C(=O)N1CCC=C1P(O)(O)CC(Cc1cc(no1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C25H34N3O7P/c1-16(2)12-22(26-17(3)29)24(30)28-11-7-10-23(28)36(33,34)15-19(25(31)32)13-20-14-21(27-35-20)18-8-5-4-6-9-18/h4-6,8-10,14,16,19,22,33-34,36H,7,11-13,15H2,1-3H3,(H,26,29)(H,31,32)
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>1.00E+4>-6.82n/an/an/an/an/a6.825



University of Athens



Assay Description
Continuous assays were performed by recording the fluorescence increase at 405 nm (excitation@ 320 nm) induced by the cleavage of fluorogenic substra...


J Med Chem 51: 2216-2226 (2008)


Article DOI: 10.1021/jm701275z
BindingDB Entry DOI: 10.7270/Q2QF8R4J
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM21474
PNG
(3-({1-[2-acetamido-3-(1H-imidazol-4-yl)propanoyl]p...)
Show SMILES CC(=O)NC(Cc1cnc[nH]1)C(=O)N1CCC=C1P(O)(O)CC(Cc1cc(no1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C25H30N5O7P/c1-16(31)28-22(11-19-13-26-15-27-19)24(32)30-9-5-8-23(30)38(35,36)14-18(25(33)34)10-20-12-21(29-37-20)17-6-3-2-4-7-17/h2-4,6-8,12-13,15,18,22,35-36,38H,5,9-11,14H2,1H3,(H,26,27)(H,28,31)(H,33,34)
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>1.00E+4>-6.82n/an/an/an/an/a6.825



University of Athens



Assay Description
Continuous assays were performed by recording the fluorescence increase at 405 nm (excitation@ 320 nm) induced by the cleavage of fluorogenic substra...


J Med Chem 51: 2216-2226 (2008)


Article DOI: 10.1021/jm701275z
BindingDB Entry DOI: 10.7270/Q2QF8R4J
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM86694
PNG
(N'-(3-Chloro-4-morpholinophenyl)-N-hydroxyform...)
Show SMILES ONC=Nc1ccc(N2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C11H14ClN3O2/c12-10-7-9(13-8-14-16)1-2-11(10)15-3-5-17-6-4-15/h1-2,7-8,16H,3-6H2,(H,13,14)
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>1.00E+4n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 77-85 (2005)


Article DOI: 10.1124/jpet.105.083964
BindingDB Entry DOI: 10.7270/Q2MW2FQQ
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM92443
PNG
(MMP Inhibitor, 3 | Thiophene derivative, compound ...)
Show SMILES NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1cc(cs1)-c1ccccc1
Show InChI InChI=1S/C29H31N3O7S/c30-28(38)22(11-14-26(34)35)32-29(39)23(12-15-27(36)37)31-25(33)13-8-18-6-9-20(10-7-18)24-16-21(17-40-24)19-4-2-1-3-5-19/h1-7,9-10,16-17,22-23H,8,11-15H2,(H2,30,38)(H,31,33)(H,32,39)(H,34,35)(H,36,37)/t22-,23+/m1/s1
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>1.00E+4>-6.82n/an/an/an/an/a6.825



Commissariat à l'Energie Atomique



Assay Description
Enzyme assay using matrix metalloproteinases.


J Biol Chem 285: 35900-9 (2010)


Article DOI: 10.1074/jbc.M110.139634
BindingDB Entry DOI: 10.7270/Q25X27HV
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM92441
PNG
(RXP470, 1 | RXP470, Compound 4)
Show SMILES NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)C(Cc1cc(no1)-c1ccc(cc1)-c1cccc(Cl)c1)CP(O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C35H35BrClN4O10P/c36-24-8-10-27(11-9-24)52(49,50)19-23(34(47)40-29(13-15-32(44)45)35(48)39-28(33(38)46)12-14-31(42)43)17-26-18-30(41-51-26)21-6-4-20(5-7-21)22-2-1-3-25(37)16-22/h1-11,16,18,23,28-29H,12-15,17,19H2,(H2,38,46)(H,39,48)(H,40,47)(H,42,43)(H,44,45)(H,49,50)/t23?,28-,29+/m1/s1
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>1.00E+4>-6.82n/an/an/an/an/a6.825



Commissariat à l'Energie Atomique



Assay Description
Enzyme assay using matrix metalloproteinases.


J Biol Chem 285: 35900-9 (2010)


Article DOI: 10.1074/jbc.M110.139634
BindingDB Entry DOI: 10.7270/Q25X27HV
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM21464
PNG
(2-benzyl-3-{[1-(2-acetamido-4-methylpentanoyl)pyrr...)
Show SMILES CC(C)CC(NC(C)=O)C(=O)N1CCC=C1P(O)(O)CC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C22H33N2O6P/c1-15(2)12-19(23-16(3)25)21(26)24-11-7-10-20(24)31(29,30)14-18(22(27)28)13-17-8-5-4-6-9-17/h4-6,8-10,15,18-19,29-31H,7,11-14H2,1-3H3,(H,23,25)(H,27,28)
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>1.00E+4>-6.82n/an/an/an/an/a6.825



University of Athens



Assay Description
Continuous assays were performed by recording the fluorescence increase at 405 nm (excitation@ 320 nm) induced by the cleavage of fluorogenic substra...


J Med Chem 51: 2216-2226 (2008)


Article DOI: 10.1021/jm701275z
BindingDB Entry DOI: 10.7270/Q2QF8R4J
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50303327
PNG
((2S)-2-((1S,2S)-2-(((R)-1-(benzyloxycarbonylamino)...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1=C(CCC1)P(O)(O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C33H36N3O7P/c37-31(35-28(32(38)39)19-24-20-34-27-16-8-7-14-25(24)27)26-15-9-17-29(26)44(41,42)30(18-22-10-3-1-4-11-22)36-33(40)43-21-23-12-5-2-6-13-23/h1-8,10-14,16,20,28,30,34,41-42,44H,9,15,17-19,21H2,(H,35,37)(H,36,40)(H,38,39)/t28-,30+/m0/s1
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1.00E+4n/an/an/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human ACE N-terminal domain expressed in CHO cells after 90 mins by fluorescence assay


J Med Chem 54: 5955-80 (2011)


Article DOI: 10.1021/jm200587f
BindingDB Entry DOI: 10.7270/Q2PV6MGF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50411726
PNG
(CHEMBL437595)
Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@@H](S)c1ccccc1
Show InChI InChI=1S/C23H21NO3S/c25-22(21(28)19-9-5-2-6-10-19)24-20(23(26)27)15-16-11-13-18(14-12-16)17-7-3-1-4-8-17/h1-14,20-21,28H,15H2,(H,24,25)(H,26,27)/t20-,21-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACE by fluorescence assay


Bioorg Med Chem Lett 18: 732-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.048
BindingDB Entry DOI: 10.7270/Q2GT5PCB
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50411727
PNG
(CHEMBL257026)
Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@@H](S)C1CCCCC1
Show InChI InChI=1S/C23H27NO3S/c25-22(21(28)19-9-5-2-6-10-19)24-20(23(26)27)15-16-11-13-18(14-12-16)17-7-3-1-4-8-17/h1,3-4,7-8,11-14,19-21,28H,2,5-6,9-10,15H2,(H,24,25)(H,26,27)/t20-,21-/m0/s1
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1.30E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACE by fluorescence assay


Bioorg Med Chem Lett 18: 732-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.048
BindingDB Entry DOI: 10.7270/Q2GT5PCB
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50189520
PNG
((S)-2-((S)-5-(tert-butoxycarbonyl)-4-oxo-6-phenylh...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C28H33N3O6/c1-28(2,3)37-27(36)31-22(15-18-9-5-4-6-10-18)24(32)13-14-25(33)30-23(26(34)35)16-19-17-29-21-12-8-7-11-20(19)21/h4-12,17,22-23,29H,13-16H2,1-3H3,(H,30,33)(H,31,36)(H,34,35)/t22-,23-/m0/s1
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1.33E+4n/an/an/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Inhibition of recombinant ACE N domain


Bioorg Med Chem Lett 16: 4612-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.003
BindingDB Entry DOI: 10.7270/Q2B56JC8
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50292544
PNG
(3,4,6,7-tetrahydroxyxanthone | CHEMBL477740)
Show SMILES Oc1ccc2c(oc3cc(O)c(O)cc3c2=O)c1O
Show InChI InChI=1S/C13H8O6/c14-7-2-1-5-11(17)6-3-8(15)9(16)4-10(6)19-13(5)12(7)18/h1-4,14-16,18H
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1.42E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ACE by Lineweaver-Burk plot


J Nat Prod 55: 691-695 (1992)


Article DOI: 10.1021/np50083a025
BindingDB Entry DOI: 10.7270/Q21C1WXZ
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50189454
PNG
((R)-2-((S)-6-amino-1-((S)-1-carboxy-2-(1H-indol-3-...)
Show SMILES NCCCC[C@H](N[C@H](CCc1ccccc1)C(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C27H34N4O5/c28-15-7-6-12-22(30-23(26(33)34)14-13-18-8-2-1-3-9-18)25(32)31-24(27(35)36)16-19-17-29-21-11-5-4-10-20(19)21/h1-5,8-11,17,22-24,29-30H,6-7,12-16,28H2,(H,31,32)(H,33,34)(H,35,36)/t22-,23+,24-/m0/s1
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2.63E+4n/an/an/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Inhibition of testis ACE C domain


Bioorg Med Chem Lett 16: 4616-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.004
BindingDB Entry DOI: 10.7270/Q2KP81SJ
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50189518
PNG
((S)-1-((S)-5-(tert-butoxycarbonyl)-4-oxo-6-phenylh...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)CCC(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C22H30N2O6/c1-22(2,3)30-21(29)23-16(14-15-8-5-4-6-9-15)18(25)11-12-19(26)24-13-7-10-17(24)20(27)28/h4-6,8-9,16-17H,7,10-14H2,1-3H3,(H,23,29)(H,27,28)/t16-,17-/m0/s1
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3.36E+4n/an/an/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Inhibition of recombinant ACE N domain


Bioorg Med Chem Lett 16: 4612-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.003
BindingDB Entry DOI: 10.7270/Q2B56JC8
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50292547
PNG
(1,3,5,6-tetrahydroxyxanthone | 1,3,5,6-tetrahydrox...)
Show SMILES Oc1cc(O)c2c(c1)oc1c(O)c(O)ccc1c2=O
Show InChI InChI=1S/C13H8O6/c14-5-3-8(16)10-9(4-5)19-13-6(11(10)17)1-2-7(15)12(13)18/h1-4,14-16,18H
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3.42E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ACE by Lineweaver-Burk plot


J Nat Prod 55: 691-695 (1992)


Article DOI: 10.1021/np50083a025
BindingDB Entry DOI: 10.7270/Q21C1WXZ
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50189521
PNG
((S)-2-((S)-5-(tert-butoxycarbonyl)-4-oxo-6-phenylh...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)CCC(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C26H32N2O6/c1-26(2,3)34-25(33)28-20(16-18-10-6-4-7-11-18)22(29)14-15-23(30)27-21(24(31)32)17-19-12-8-5-9-13-19/h4-13,20-21H,14-17H2,1-3H3,(H,27,30)(H,28,33)(H,31,32)/t20-,21-/m0/s1
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4.30E+4n/an/an/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Inhibition of recombinant ACE N domain


Bioorg Med Chem Lett 16: 4612-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.003
BindingDB Entry DOI: 10.7270/Q2B56JC8
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50027344
PNG
((S)-1-((S)-5-benzamido-4-oxo-6-phenylhexanoyl)pyrr...)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)CCC(=O)[C@H](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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4.52E+4n/an/an/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Inhibition of recombinant ACE N domain


Bioorg Med Chem Lett 16: 4612-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.003
BindingDB Entry DOI: 10.7270/Q2B56JC8
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50121928
PNG
(2-(1-Formyl-2-phenyl-ethylamino)-4-phenyl-butyric ...)
Show SMILES OC(=O)C(CCc1ccccc1)NC(Cc1ccccc1)C=O
Show InChI InChI=1S/C19H21NO3/c21-14-17(13-16-9-5-2-6-10-16)20-18(19(22)23)12-11-15-7-3-1-4-8-15/h1-10,14,17-18,20H,11-13H2,(H,22,23)
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5.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Angiotensin I converting enzyme (ACE) in venom of Bothrops jararaca


J Med Chem 45: 5609-16 (2002)


Article DOI: 10.1021/jm020424z
BindingDB Entry DOI: 10.7270/Q270825W
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50281462
PNG
((R)-2-[(6S,7S)-6-((R)-2-Mercapto-3-phenyl-propiony...)
Show SMILES CC(C)C[C@@H](N1CCO[C@H]([C@H](NC(=O)[C@H](S)Cc2ccccc2)C1=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C26H32N2O5S/c1-17(2)15-20(26(31)32)28-13-14-33-23(19-11-7-4-8-12-19)22(25(28)30)27-24(29)21(34)16-18-9-5-3-6-10-18/h3-12,17,20-23,34H,13-16H2,1-2H3,(H,27,29)(H,31,32)/t20-,21-,22+,23+/m1/s1
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Article
5.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound against Angiotensin I converting enzyme


Bioorg Med Chem Lett 3: 231-234 (1993)


Article DOI: 10.1016/S0960-894X(01)80882-9
BindingDB Entry DOI: 10.7270/Q21G0M5F
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50020390
PNG
((2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carbox...)
Show SMILES C[C@H](N)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C8H14N2O3/c1-5(9)7(11)10-4-2-3-6(10)8(12)13/h5-6H,2-4,9H2,1H3,(H,12,13)/t5-,6-/m0/s1
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5.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Angiotensin I converting enzyme


Bioorg Med Chem Lett 3: 799-802 (1993)


Article DOI: 10.1016/S0960-894X(00)80669-1
BindingDB Entry DOI: 10.7270/Q29S1QZZ
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50189519
PNG
((S)-2-((S)-5-benzamido-4-oxo-6-phenylhexanamido)-3...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C28H28N2O5/c31-25(16-17-26(32)29-24(28(34)35)19-21-12-6-2-7-13-21)23(18-20-10-4-1-5-11-20)30-27(33)22-14-8-3-9-15-22/h1-15,23-24H,16-19H2,(H,29,32)(H,30,33)(H,34,35)/t23-,24-/m0/s1
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8.43E+4n/an/an/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Inhibition of recombinant ACE N domain


Bioorg Med Chem Lett 16: 4612-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.003
BindingDB Entry DOI: 10.7270/Q2B56JC8
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50265078
PNG
((4S)-5-amino-4-((2S)-2-((2S)-3-((4-bromophenyl)(hy...)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1cc(no1)-c1ccc(cc1)-c1cccc(Cl)c1)CP(O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C35H35BrClN4O10P/c36-24-8-10-27(11-9-24)52(49,50)19-23(34(47)40-29(13-15-32(44)45)35(48)39-28(33(38)46)12-14-31(42)43)17-26-18-30(41-51-26)21-6-4-20(5-7-21)22-2-1-3-25(37)16-22/h1-11,16,18,23,28-29H,12-15,17,19H2,(H2,38,46)(H,39,48)(H,40,47)(H,42,43)(H,44,45)(H,49,50)/t23-,28+,29+/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of ACE


Bioorg Med Chem 16: 8781-94 (2008)


Article DOI: 10.1016/j.bmc.2008.08.058
BindingDB Entry DOI: 10.7270/Q2JD4WM2
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50292546
PNG
(3,4,5,6-tetrahydroxyxanthone | CHEMBL477921 | US91...)
Show SMILES Oc1ccc2c(oc3c(O)c(O)ccc3c2=O)c1O
Show InChI InChI=1S/C13H8O6/c14-7-3-1-5-9(16)6-2-4-8(15)11(18)13(6)19-12(5)10(7)17/h1-4,14-15,17-18H
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1.26E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ACE by Lineweaver-Burk plot


J Nat Prod 55: 691-695 (1992)


Article DOI: 10.1021/np50083a025
BindingDB Entry DOI: 10.7270/Q21C1WXZ
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50189517
PNG
((S)-2-((S)-5-benzamido-4-oxo-6-phenylhexanamido)-3...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C30H29N3O5/c34-27(25(17-20-9-3-1-4-10-20)33-29(36)21-11-5-2-6-12-21)15-16-28(35)32-26(30(37)38)18-22-19-31-24-14-8-7-13-23(22)24/h1-14,19,25-26,31H,15-18H2,(H,32,35)(H,33,36)(H,37,38)/t25-,26-/m0/s1
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1.96E+5n/an/an/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Inhibition of recombinant ACE N domain


Bioorg Med Chem Lett 16: 4612-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.003
BindingDB Entry DOI: 10.7270/Q2B56JC8
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50155447
PNG
(1,3,6,7-Tetrahydroxy-xanthen-9-one | 1,3,6,7-tetra...)
Show SMILES Oc1cc(O)c2c(c1)oc1cc(O)c(O)cc1c2=O
Show InChI InChI=1S/C13H8O6/c14-5-1-9(17)12-11(2-5)19-10-4-8(16)7(15)3-6(10)13(12)18/h1-4,14-17H
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2.50E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ACE by Lineweaver-Burk plot


J Nat Prod 55: 691-695 (1992)


Article DOI: 10.1021/np50083a025
BindingDB Entry DOI: 10.7270/Q21C1WXZ
More data for this
Ligand-Target Pair
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