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PubMed code 15125946

Compile data set for download or QSAR
Found 9 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)		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



State University of New York

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against angiotensin I converting enzyme was determined

Bioorg Med Chem Lett 14: 2853-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.042
BindingDB Entry DOI: 10.7270/Q2CJ8CX7
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50146425
PNG
(CHEMBL95846 | Sodium; (S)-1-{(S)-3-[((R)-1-benzoyl...)
Show SMILES C[C@H](C[Si](O)(O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C([O-])=O
Show InChI InChI=1S/C24H30N2O6Si/c1-17(23(28)26-14-8-13-20(26)24(29)30)16-33(31,32)21(15-18-9-4-2-5-10-18)25-22(27)19-11-6-3-7-12-19/h2-7,9-12,17,20-21,31-32H,8,13-16H2,1H3,(H,25,27)(H,29,30)/p-1/t17-,20+,21-/m1/s1
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n/an/a 3.80n/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against angiotensin I converting enzyme was determined

Bioorg Med Chem Lett 14: 2853-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.042
BindingDB Entry DOI: 10.7270/Q2CJ8CX7
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50146430
PNG
((S)-1-((1R,5R)-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 8.20n/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against angiotensin I converting enzyme was determined

Bioorg Med Chem Lett 14: 2853-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.042
BindingDB Entry DOI: 10.7270/Q2CJ8CX7
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50146431
PNG
((S)-1-{3-[(1-Benzoylamino-3-methyl-butyl)-dihydrox...)
Show SMILES CC(C)CC(NC(=O)c1ccccc1)[Si](O)(O)CC(C)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C21H32N2O6Si/c1-14(2)12-18(22-19(24)16-8-5-4-6-9-16)30(28,29)13-15(3)20(25)23-11-7-10-17(23)21(26)27/h4-6,8-9,14-15,17-18,28-29H,7,10-13H2,1-3H3,(H,22,24)(H,26,27)/t15?,17-,18?/m0/s1
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n/an/a 14n/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against angiotensin I converting enzyme was determined

Bioorg Med Chem Lett 14: 2853-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.042
BindingDB Entry DOI: 10.7270/Q2CJ8CX7
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50146429
PNG
((S)-1-{(S)-3-[((S)-1-Benzoylamino-2-phenyl-ethyl)-...)
Show SMILES C[C@H](C[Si](O)(O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C24H30N2O6Si/c1-17(23(28)26-14-8-13-20(26)24(29)30)16-33(31,32)21(15-18-9-4-2-5-10-18)25-22(27)19-11-6-3-7-12-19/h2-7,9-12,17,20-21,31-32H,8,13-16H2,1H3,(H,25,27)(H,29,30)/t17-,20+,21+/m1/s1
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n/an/a 19n/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against angiotensin I converting enzyme was determined

Bioorg Med Chem Lett 14: 2853-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.042
BindingDB Entry DOI: 10.7270/Q2CJ8CX7
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50146426
PNG
((S)-1-((1S,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-/m0/s1
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n/an/a 46n/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against angiotensin I converting enzyme was determined

Bioorg Med Chem Lett 14: 2853-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.042
BindingDB Entry DOI: 10.7270/Q2CJ8CX7
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50146423
PNG
((S)-1-{(R)-3-[((S)-1-Benzoylamino-2-phenyl-ethyl)-...)
Show SMILES C[C@@H](C[Si](O)(O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C24H30N2O6Si/c1-17(23(28)26-14-8-13-20(26)24(29)30)16-33(31,32)21(15-18-9-4-2-5-10-18)25-22(27)19-11-6-3-7-12-19/h2-7,9-12,17,20-21,31-32H,8,13-16H2,1H3,(H,25,27)(H,29,30)/t17-,20-,21-/m0/s1
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n/an/a 72n/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against angiotensin I converting enzyme was determined

Bioorg Med Chem Lett 14: 2853-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.042
BindingDB Entry DOI: 10.7270/Q2CJ8CX7
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50146424
PNG
((S)-1-{(R)-3-[((R)-1-Benzoylamino-2-phenyl-ethyl)-...)
Show SMILES C[C@@H](C[Si](O)(O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C24H30N2O6Si/c1-17(23(28)26-14-8-13-20(26)24(29)30)16-33(31,32)21(15-18-9-4-2-5-10-18)25-22(27)19-11-6-3-7-12-19/h2-7,9-12,17,20-21,31-32H,8,13-16H2,1H3,(H,25,27)(H,29,30)/t17-,20-,21+/m0/s1
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PubMed
n/an/a 207n/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against angiotensin I converting enzyme was determined

Bioorg Med Chem Lett 14: 2853-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.042
BindingDB Entry DOI: 10.7270/Q2CJ8CX7
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50146427
PNG
((S)-1-((1S,5R)-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-/m0/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against angiotensin I converting enzyme was determined

Bioorg Med Chem Lett 14: 2853-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.042
BindingDB Entry DOI: 10.7270/Q2CJ8CX7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%