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Compile Data Set for Download or QSAR

Found 33 hits with Last Name = 'addla' and Initial = 'd'   
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)
BDBM50093599
PNG
(CHEMBL3585803)
Show SMILES CCCCc1nc(Cl)c(C(=O)N[C@@H](Cc2ccccc2)C(O)=O)n1C
Show InChI InChI=1S/C18H22ClN3O3/c1-3-4-10-14-21-16(19)15(22(14)2)17(23)20-13(18(24)25)11-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3,(H,20,23)(H,24,25)/t13-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of rabbit lung ACE assessed as hippuryl-histidyl-leucine hydrolysis after 30 mins by colorimetric method


Bioorg Med Chem 23: 3526-33 (2015)


Article DOI: 10.1016/j.bmc.2015.04.024
BindingDB Entry DOI: 10.7270/Q2DB83M4
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
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 100n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of rabbit lung ACE assessed as hippuryl-histidyl-leucine hydrolysis after 30 mins by colorimetric method


Bioorg Med Chem 23: 3526-33 (2015)


Article DOI: 10.1016/j.bmc.2015.04.024
BindingDB Entry DOI: 10.7270/Q2DB83M4
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50368166
PNG
(Accupril | QUINAPRIL)
Show SMILES CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O
Show InChI InChI=1S/C25H30N2O5/c1-3-32-25(31)21(14-13-18-9-5-4-6-10-18)26-17(2)23(28)27-16-20-12-8-7-11-19(20)15-22(27)24(29)30/h4-12,17,21-22,26H,3,13-16H2,1-2H3,(H,29,30)/t17-,21-,22-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of rabbit lung ACE assessed as hippuryl-histidyl-leucine hydrolysis after 30 mins by colorimetric method


Bioorg Med Chem 23: 3526-33 (2015)


Article DOI: 10.1016/j.bmc.2015.04.024
BindingDB Entry DOI: 10.7270/Q2DB83M4
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
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
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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n/an/a 123n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of rabbit lung ACE assessed as hippuryl-histidyl-leucine hydrolysis after 30 mins by colorimetric method


Bioorg Med Chem 23: 3526-33 (2015)


Article DOI: 10.1016/j.bmc.2015.04.024
BindingDB Entry DOI: 10.7270/Q2DB83M4
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
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 212n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of rabbit lung ACE assessed as hydrolysis of hippuryl-histidyl-leucine to hippuric acid and histidyl-leucine after 30 mins


Bioorg Med Chem 21: 4485-93 (2013)


Article DOI: 10.1016/j.bmc.2013.05.031
BindingDB Entry DOI: 10.7270/Q2P55PXT
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50084681
PNG
(1-[2-(1-Ethoxycarbonyl-3-phenyl-propylamino)-propi...)
Show SMILES CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H]2CCC[C@H]2C[C@H]1C(O)=O
Show InChI InChI=1S/C23H32N2O5/c1-3-30-23(29)18(13-12-16-8-5-4-6-9-16)24-15(2)21(26)25-19-11-7-10-17(19)14-20(25)22(27)28/h4-6,8-9,15,17-20,24H,3,7,10-14H2,1-2H3,(H,27,28)/t15-,17-,18-,19-,20-/m0/s1
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n/an/a 253n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of rabbit lung ACE assessed as hippuryl-histidyl-leucine hydrolysis after 30 mins by colorimetric method


Bioorg Med Chem 23: 3526-33 (2015)


Article DOI: 10.1016/j.bmc.2015.04.024
BindingDB Entry DOI: 10.7270/Q2DB83M4
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50084681
PNG
(1-[2-(1-Ethoxycarbonyl-3-phenyl-propylamino)-propi...)
Show SMILES CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H]2CCC[C@H]2C[C@H]1C(O)=O
Show InChI InChI=1S/C23H32N2O5/c1-3-30-23(29)18(13-12-16-8-5-4-6-9-16)24-15(2)21(26)25-19-11-7-10-17(19)14-20(25)22(27)28/h4-6,8-9,15,17-20,24H,3,7,10-14H2,1-2H3,(H,27,28)/t15-,17-,18-,19-,20-/m0/s1
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n/an/a 253n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of rabbit lung ACE assessed as hydrolysis of hippuryl-histidyl-leucine to hippuric acid and histidyl-leucine after 30 mins


Bioorg Med Chem 21: 4485-93 (2013)


Article DOI: 10.1016/j.bmc.2013.05.031
BindingDB Entry DOI: 10.7270/Q2P55PXT
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
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 262n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of rabbit lung ACE assessed as hydrolysis of hippuryl-histidyl-leucine to hippuric acid and histidyl-leucine after 30 mins


Bioorg Med Chem 21: 4485-93 (2013)


Article DOI: 10.1016/j.bmc.2013.05.031
BindingDB Entry DOI: 10.7270/Q2P55PXT
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50438379
PNG
(CHEMBL2413588)
Show SMILES O[C@@H]1C[C@@H]2N(C1)C(=O)c1ccccc1N(Cc1cc(Br)cs1)C2=O
Show InChI InChI=1S/C17H15BrN2O3S/c18-10-5-12(24-9-10)8-20-14-4-2-1-3-13(14)16(22)19-7-11(21)6-15(19)17(20)23/h1-5,9,11,15,21H,6-8H2/t11-,15+/m1/s1
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n/an/a 272n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of rabbit lung ACE assessed as hydrolysis of hippuryl-histidyl-leucine to hippuric acid and histidyl-leucine after 30 mins


Bioorg Med Chem 21: 4485-93 (2013)


Article DOI: 10.1016/j.bmc.2013.05.031
BindingDB Entry DOI: 10.7270/Q2P55PXT
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
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 318n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of rabbit lung ACE assessed as hippuryl-histidyl-leucine hydrolysis after 30 mins by colorimetric method


Bioorg Med Chem 23: 3526-33 (2015)


Article DOI: 10.1016/j.bmc.2015.04.024
BindingDB Entry DOI: 10.7270/Q2DB83M4
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50438380
PNG
(CHEMBL2413608)
Show SMILES COc1cc(CN2c3ccccc3C(=O)N3C[C@H](O)C[C@H]3C2=O)cc(OC)c1OC
Show InChI InChI=1S/C22H24N2O6/c1-28-18-8-13(9-19(29-2)20(18)30-3)11-23-16-7-5-4-6-15(16)21(26)24-12-14(25)10-17(24)22(23)27/h4-9,14,17,25H,10-12H2,1-3H3/t14-,17+/m1/s1
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n/an/a 376n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of rabbit lung ACE assessed as hydrolysis of hippuryl-histidyl-leucine to hippuric acid and histidyl-leucine after 30 mins


Bioorg Med Chem 21: 4485-93 (2013)


Article DOI: 10.1016/j.bmc.2013.05.031
BindingDB Entry DOI: 10.7270/Q2P55PXT
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50438382
PNG
(CHEMBL2413596)
Show SMILES O[C@@H]1C[C@@H]2N(C1)C(=O)c1ccccc1N(Cc1cccc(Br)c1)C2=O
Show InChI InChI=1S/C19H17BrN2O3/c20-13-5-3-4-12(8-13)10-21-16-7-2-1-6-15(16)18(24)22-11-14(23)9-17(22)19(21)25/h1-8,14,17,23H,9-11H2/t14-,17+/m1/s1
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n/an/a 418n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of rabbit lung ACE assessed as hydrolysis of hippuryl-histidyl-leucine to hippuric acid and histidyl-leucine after 30 mins


Bioorg Med Chem 21: 4485-93 (2013)


Article DOI: 10.1016/j.bmc.2013.05.031
BindingDB Entry DOI: 10.7270/Q2P55PXT
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50093606
PNG
(CHEMBL3585794)
Show SMILES CCCCc1nc(Cl)c(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OC)n1C
Show InChI InChI=1S/C21H25ClN4O3/c1-4-5-10-17-25-19(22)18(26(17)2)20(27)24-16(21(28)29-3)11-13-12-23-15-9-7-6-8-14(13)15/h6-9,12,16,23H,4-5,10-11H2,1-3H3,(H,24,27)/t16-/m0/s1
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n/an/a 531n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of rabbit lung ACE assessed as hippuryl-histidyl-leucine hydrolysis after 30 mins by colorimetric method


Bioorg Med Chem 23: 3526-33 (2015)


Article DOI: 10.1016/j.bmc.2015.04.024
BindingDB Entry DOI: 10.7270/Q2DB83M4
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50093607
PNG
(CHEMBL3585792)
Show SMILES CCCCc1nc(Cl)c(C(=O)N[C@@H](Cc2ccccc2)C(=O)OC)n1C
Show InChI InChI=1S/C19H24ClN3O3/c1-4-5-11-15-22-17(20)16(23(15)2)18(24)21-14(19(25)26-3)12-13-9-7-6-8-10-13/h6-10,14H,4-5,11-12H2,1-3H3,(H,21,24)/t14-/m0/s1
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n/an/a 647n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of rabbit lung ACE assessed as hippuryl-histidyl-leucine hydrolysis after 30 mins by colorimetric method


Bioorg Med Chem 23: 3526-33 (2015)


Article DOI: 10.1016/j.bmc.2015.04.024
BindingDB Entry DOI: 10.7270/Q2DB83M4
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50093601
PNG
(CHEMBL3585802)
Show SMILES CCCCc1nc(Cl)c(C(=O)N[C@@H](CCSC)C(O)=O)n1C
Show InChI InChI=1S/C14H22ClN3O3S/c1-4-5-6-10-17-12(15)11(18(10)2)13(19)16-9(14(20)21)7-8-22-3/h9H,4-8H2,1-3H3,(H,16,19)(H,20,21)/t9-/m0/s1
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n/an/a 657n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of rabbit lung ACE assessed as hippuryl-histidyl-leucine hydrolysis after 30 mins by colorimetric method


Bioorg Med Chem 23: 3526-33 (2015)


Article DOI: 10.1016/j.bmc.2015.04.024
BindingDB Entry DOI: 10.7270/Q2DB83M4
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50438381
PNG
(CHEMBL2413597)
Show SMILES O[C@@H]1C[C@@H]2N(C1)C(=O)c1ccccc1N(Cc1ccc(Br)cc1)C2=O
Show InChI InChI=1S/C19H17BrN2O3/c20-13-7-5-12(6-8-13)10-21-16-4-2-1-3-15(16)18(24)22-11-14(23)9-17(22)19(21)25/h1-8,14,17,23H,9-11H2/t14-,17+/m1/s1
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n/an/a 658n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of rabbit lung ACE assessed as hydrolysis of hippuryl-histidyl-leucine to hippuric acid and histidyl-leucine after 30 mins


Bioorg Med Chem 21: 4485-93 (2013)


Article DOI: 10.1016/j.bmc.2013.05.031
BindingDB Entry DOI: 10.7270/Q2P55PXT
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50093604
PNG
(CHEMBL3585799)
Show SMILES CCCCc1nc(Cl)c(C(=O)N[C@@H]([C@H](C)CC)C(O)=O)n1C
Show InChI InChI=1S/C15H24ClN3O3/c1-5-7-8-10-17-13(16)12(19(10)4)14(20)18-11(15(21)22)9(3)6-2/h9,11H,5-8H2,1-4H3,(H,18,20)(H,21,22)/t9-,11+/m1/s1
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n/an/a 1.12E+3n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of rabbit lung ACE assessed as hippuryl-histidyl-leucine hydrolysis after 30 mins by colorimetric method


Bioorg Med Chem 23: 3526-33 (2015)


Article DOI: 10.1016/j.bmc.2015.04.024
BindingDB Entry DOI: 10.7270/Q2DB83M4
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50350679
PNG
(CHEMBL1813751)
Show SMILES CCCCc1nc(Cl)c(\C=C\C(=O)c2ccc[nH]2)n1C
Show InChI InChI=1S/C15H18ClN3O/c1-3-4-7-14-18-15(16)12(19(14)2)8-9-13(20)11-6-5-10-17-11/h5-6,8-10,17H,3-4,7H2,1-2H3/b9-8+
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n/an/a 2.24E+3n/an/an/an/an/an/a



India Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of rabbit lung ACE assessed as reduction in hippuryl-histidyl-leucine substrate by colorimetric assay


Bioorg Med Chem 19: 4772-81 (2011)


Article DOI: 10.1016/j.bmc.2011.06.085
BindingDB Entry DOI: 10.7270/Q27M089B
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50350678
PNG
(CHEMBL1813746)
Show SMILES CCCCc1nc(Cl)c(\C=C\C(=O)c2ccc3sc4ccccc4c3c2)n1C
Show InChI InChI=1S/C23H21ClN2OS/c1-3-4-9-22-25-23(24)18(26(22)2)11-12-19(27)15-10-13-21-17(14-15)16-7-5-6-8-20(16)28-21/h5-8,10-14H,3-4,9H2,1-2H3/b12-11+
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n/an/a 2.68E+3n/an/an/an/an/an/a



India Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of rabbit lung ACE assessed as reduction in hippuryl-histidyl-leucine substrate by colorimetric assay


Bioorg Med Chem 19: 4772-81 (2011)


Article DOI: 10.1016/j.bmc.2011.06.085
BindingDB Entry DOI: 10.7270/Q27M089B
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50350671
PNG
(CHEMBL1813754)
Show SMILES CCCCc1nc(Cl)c(\C=C\C(=O)c2ccc(Cl)s2)n1C
Show InChI InChI=1S/C15H16Cl2N2OS/c1-3-4-5-14-18-15(17)10(19(14)2)6-7-11(20)12-8-9-13(16)21-12/h6-9H,3-5H2,1-2H3/b7-6+
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n/an/a 3.60E+3n/an/an/an/an/an/a



India Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of rabbit lung ACE assessed as reduction in hippuryl-histidyl-leucine substrate by colorimetric assay


Bioorg Med Chem 19: 4772-81 (2011)


Article DOI: 10.1016/j.bmc.2011.06.085
BindingDB Entry DOI: 10.7270/Q27M089B
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50242280
PNG
((2S,3S,4S,5R,6S)-6-(2-(3,4-dihydroxyphenyl)-5,7-di...)
Show SMILES O[C@H]1[C@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O
Show InChI InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-24,26-29H,(H,30,31)/t14-,15-,16+,19-,21+/m0/s1
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n/an/a 2.00E+5n/an/an/an/an/an/a



India Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of rabbit lung ACE assessed as reduction in hippuryl-histidyl-leucine substrate by colorimetric assay


Bioorg Med Chem 19: 4772-81 (2011)


Article DOI: 10.1016/j.bmc.2011.06.085
BindingDB Entry DOI: 10.7270/Q27M089B
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50313760
PNG
(1-methyl-3-(3',4',5'-trimethoxyphenyl)-5-(4''-meth...)
Show SMILES COc1cc(cc(OC)c1OC)[C-]1CC(c2ccc(OC)c(c2)[N+]([O-])=O)[N+](C)=N1
Show InChI InChI=1S/C20H23N3O6/c1-22-15(12-6-7-17(26-2)16(8-12)23(24)25)11-14(21-22)13-9-18(27-3)20(29-5)19(10-13)28-4/h6-10,15H,11H2,1-5H3
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n/an/a 2.13E+5n/an/an/an/an/an/a



India Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of rabbit lung ACE assessed as reduction in hippuryl-histidyl-leucine substrate by colorimetric assay


Bioorg Med Chem 19: 4772-81 (2011)


Article DOI: 10.1016/j.bmc.2011.06.085
BindingDB Entry DOI: 10.7270/Q27M089B
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50159318
PNG
((E)-3-(3''-Amino-4''-methoxyphenyl)-1-(3',4',5'-tr...)
Show SMILES COc1ccc(\C=C\C(=O)c2cc(OC)c(OC)c(OC)c2)cc1N
Show InChI InChI=1S/C19H21NO5/c1-22-16-8-6-12(9-14(16)20)5-7-15(21)13-10-17(23-2)19(25-4)18(11-13)24-3/h5-11H,20H2,1-4H3/b7-5+
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n/an/a 2.19E+5n/an/an/an/an/an/a



India Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of rabbit lung ACE assessed as reduction in hippuryl-histidyl-leucine substrate by colorimetric assay


Bioorg Med Chem 19: 4772-81 (2011)


Article DOI: 10.1016/j.bmc.2011.06.085
BindingDB Entry DOI: 10.7270/Q27M089B
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50313764
PNG
(5,7-dihydroxy-2-(4-hydroxyphenyl)-3-((2S,3R,4S,5R,...)
Show SMILES OC[C@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-24,26-29H,7H2/t13-,15+,17+,18-,21+/m1/s1
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n/an/a 2.60E+5n/an/an/an/an/an/a



India Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of rabbit lung ACE assessed as reduction in hippuryl-histidyl-leucine substrate by colorimetric assay


Bioorg Med Chem 19: 4772-81 (2011)


Article DOI: 10.1016/j.bmc.2011.06.085
BindingDB Entry DOI: 10.7270/Q27M089B
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM7458
PNG
(5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
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n/an/a 2.80E+5n/an/an/an/an/an/a



India Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of rabbit lung ACE assessed as reduction in hippuryl-histidyl-leucine substrate by colorimetric assay


Bioorg Med Chem 19: 4772-81 (2011)


Article DOI: 10.1016/j.bmc.2011.06.085
BindingDB Entry DOI: 10.7270/Q27M089B
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM7459
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
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n/an/a 2.90E+5n/an/an/an/an/an/a



India Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of rabbit lung ACE assessed as reduction in hippuryl-histidyl-leucine substrate by colorimetric assay


Bioorg Med Chem 19: 4772-81 (2011)


Article DOI: 10.1016/j.bmc.2011.06.085
BindingDB Entry DOI: 10.7270/Q27M089B
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50042949
PNG
((E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl...)
Show SMILES Oc1ccc(C(=O)\C=C\c2ccc(O)c(O)c2)c(O)c1
Show InChI InChI=1S/C15H12O5/c16-10-3-4-11(14(19)8-10)12(17)5-1-9-2-6-13(18)15(20)7-9/h1-8,16,18-20H/b5-1+
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n/an/a 7.30E+5n/an/an/an/an/an/a



India Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of rabbit lung ACE assessed as reduction in hippuryl-histidyl-leucine substrate by colorimetric assay


Bioorg Med Chem 19: 4772-81 (2011)


Article DOI: 10.1016/j.bmc.2011.06.085
BindingDB Entry DOI: 10.7270/Q27M089B
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50350675
PNG
(CHEMBL1813740)
Show SMILES CCCCc1nc(Cl)c(C2CC(=NN2C(C)=O)c2ccc(Cl)s2)n1C
Show InChI InChI=1S/C17H20Cl2N4OS/c1-4-5-6-15-20-17(19)16(22(15)3)12-9-11(21-23(12)10(2)24)13-7-8-14(18)25-13/h7-8,12H,4-6,9H2,1-3H3
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n/an/a 1.80E+6n/an/an/an/an/an/a



India Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of rabbit lung ACE assessed as reduction in hippuryl-histidyl-leucine substrate by colorimetric assay


Bioorg Med Chem 19: 4772-81 (2011)


Article DOI: 10.1016/j.bmc.2011.06.085
BindingDB Entry DOI: 10.7270/Q27M089B
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50350677
PNG
(CHEMBL1813763)
Show SMILES CCCCc1nc(Cl)c(C2CC(=NN2C(C)=O)c2ccc3sc4ccccc4c3c2)n1C
Show InChI InChI=1S/C25H25ClN4OS/c1-4-5-10-23-27-25(26)24(29(23)3)20-14-19(28-30(20)15(2)31)16-11-12-22-18(13-16)17-8-6-7-9-21(17)32-22/h6-9,11-13,20H,4-5,10,14H2,1-3H3
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n/an/a 2.01E+6n/an/an/an/an/an/a



India Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of rabbit lung ACE assessed as reduction in hippuryl-histidyl-leucine substrate by colorimetric assay


Bioorg Med Chem 19: 4772-81 (2011)


Article DOI: 10.1016/j.bmc.2011.06.085
BindingDB Entry DOI: 10.7270/Q27M089B
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50350674
PNG
(CHEMBL1813742)
Show SMILES CCCCc1nc(Cl)c(C2CC(=NN2C(C)=O)c2cc(OC)c(OC)c(OC)c2)n1C
Show InChI InChI=1S/C22H29ClN4O4/c1-7-8-9-19-24-22(23)20(26(19)3)16-12-15(25-27(16)13(2)28)14-10-17(29-4)21(31-6)18(11-14)30-5/h10-11,16H,7-9,12H2,1-6H3
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n/an/a 2.12E+6n/an/an/an/an/an/a



India Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of rabbit lung ACE assessed as reduction in hippuryl-histidyl-leucine substrate by colorimetric assay


Bioorg Med Chem 19: 4772-81 (2011)


Article DOI: 10.1016/j.bmc.2011.06.085
BindingDB Entry DOI: 10.7270/Q27M089B
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50350673
PNG
(CHEMBL1813743)
Show SMILES CCCCc1nc(Cl)c(C2CC(=NN2C(C)=O)c2ccc(cc2)[N+]([O-])=O)n1C
Show InChI InChI=1S/C19H22ClN5O3/c1-4-5-6-17-21-19(20)18(23(17)3)16-11-15(22-24(16)12(2)26)13-7-9-14(10-8-13)25(27)28/h7-10,16H,4-6,11H2,1-3H3
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n/an/a 2.22E+6n/an/an/an/an/an/a



India Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of rabbit lung ACE assessed as reduction in hippuryl-histidyl-leucine substrate by colorimetric assay


Bioorg Med Chem 19: 4772-81 (2011)


Article DOI: 10.1016/j.bmc.2011.06.085
BindingDB Entry DOI: 10.7270/Q27M089B
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50350672
PNG
(CHEMBL1813744)
Show SMILES CCCCc1nc(Cl)c(C2CC(=NN2C(C)=O)c2ccc(OC)cc2)n1C
Show InChI InChI=1S/C20H25ClN4O2/c1-5-6-7-18-22-20(21)19(24(18)3)17-12-16(23-25(17)13(2)26)14-8-10-15(27-4)11-9-14/h8-11,17H,5-7,12H2,1-4H3
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n/an/a 2.33E+6n/an/an/an/an/an/a



India Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of rabbit lung ACE assessed as reduction in hippuryl-histidyl-leucine substrate by colorimetric assay


Bioorg Med Chem 19: 4772-81 (2011)


Article DOI: 10.1016/j.bmc.2011.06.085
BindingDB Entry DOI: 10.7270/Q27M089B
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50350676
PNG
(CHEMBL1813739)
Show SMILES CCCCc1nc(Cl)c(C2CC(=NN2C(C)=O)c2ccco2)n1C
Show InChI InChI=1S/C17H21ClN4O2/c1-4-5-8-15-19-17(18)16(21(15)3)13-10-12(14-7-6-9-24-14)20-22(13)11(2)23/h6-7,9,13H,4-5,8,10H2,1-3H3
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n/an/a 2.35E+6n/an/an/an/an/an/a



India Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of rabbit lung ACE assessed as reduction in hippuryl-histidyl-leucine substrate by colorimetric assay


Bioorg Med Chem 19: 4772-81 (2011)


Article DOI: 10.1016/j.bmc.2011.06.085
BindingDB Entry DOI: 10.7270/Q27M089B
More data for this
Ligand-Target Pair