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PubMed code 23777825

Compile data set for download or QSAR
Found 7 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
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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Article
PubMed
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 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)
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
MMDB

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Article
PubMed
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)
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
MMDB

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Article
PubMed
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
* indicates data uncertainty>20%