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Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with all data for entry = 50035723   
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)		BDBM50023299
PNG
(2-(1-Carboxymethyl-2-oxo-6-phenyl-azepan-3-ylamino...)
Show SMILES OC(=O)CN1C[C@H](CC[C@H](N[C@@H](CCc2ccccc2)C(O)=O)C1=O)c1ccccc1
Show InChI InChI=1S/C24H28N2O5/c27-22(28)16-26-15-19(18-9-5-2-6-10-18)12-14-20(23(26)29)25-21(24(30)31)13-11-17-7-3-1-4-8-17/h1-10,19-21,25H,11-16H2,(H,27,28)(H,30,31)/t19-,20-,21-/m0/s1
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n/an/a 3.10n/an/an/an/an/an/a



Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of rabbit lung Angiotensin I converting enzyme with 5 mM hippuryl-histidyl-leucine as substrate

J Med Chem 31: 422-8 (1988)


BindingDB Entry DOI: 10.7270/Q2S75GWH
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50023298
PNG
(2-(4-Carboxymethyl-5-oxo-3-phenyl-[1,4]thiazepan-6...)
Show SMILES OC(=O)CN1[C@@H](CSC[C@H](N[C@@H](CCc2ccccc2)C(O)=O)C1=O)c1ccccc1
Show InChI InChI=1S/C23H26N2O5S/c26-21(27)13-25-20(17-9-5-2-6-10-17)15-31-14-19(22(25)28)24-18(23(29)30)12-11-16-7-3-1-4-8-16/h1-10,18-20,24H,11-15H2,(H,26,27)(H,29,30)/t18-,19-,20-/m0/s1
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n/an/a 3.40n/an/an/an/an/an/a



Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of rabbit lung Angiotensin I converting enzyme with 5 mM hippuryl-histidyl-leucine as substrate

J Med Chem 31: 422-8 (1988)


BindingDB Entry DOI: 10.7270/Q2S75GWH
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50023296
PNG
(2-(1-Carboxymethyl-2-oxo-7-phenyl-azepan-3-ylamino...)
Show SMILES OC(=O)CN1[C@@H](CCC[C@H](N[C@@H](CCc2ccccc2)C(O)=O)C1=O)c1ccccc1
Show InChI InChI=1S/C24H28N2O5/c27-22(28)16-26-21(18-10-5-2-6-11-18)13-7-12-19(23(26)29)25-20(24(30)31)15-14-17-8-3-1-4-9-17/h1-6,8-11,19-21,25H,7,12-16H2,(H,27,28)(H,30,31)/t19-,20-,21-/m0/s1
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n/an/a 3.60n/an/an/an/an/an/a



Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of rabbit lung Angiotensin I converting enzyme with 5 mM hippuryl-histidyl-leucine as substrate

J Med Chem 31: 422-8 (1988)


BindingDB Entry DOI: 10.7270/Q2S75GWH
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50023295
PNG
(2-(4-Carboxymethyl-5-oxo-2-phenyl-[1,4]thiazepan-6...)
Show SMILES OC(=O)CN1C[C@H](SC[C@H](N[C@@H](CCc2ccccc2)C(O)=O)C1=O)c1ccccc1
Show InChI InChI=1S/C23H26N2O5S/c26-21(27)14-25-13-20(17-9-5-2-6-10-17)31-15-19(22(25)28)24-18(23(29)30)12-11-16-7-3-1-4-8-16/h1-10,18-20,24H,11-15H2,(H,26,27)(H,29,30)/t18-,19-,20-/m0/s1
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n/an/a 3.70n/an/an/an/an/an/a



Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of rabbit lung Angiotensin I converting enzyme with 5 mM hippuryl-histidyl-leucine as substrate

J Med Chem 31: 422-8 (1988)


BindingDB Entry DOI: 10.7270/Q2S75GWH
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50023300
PNG
(2-(1-Carboxymethyl-2-oxo-6-phenyl-azepan-3-ylamino...)
Show SMILES OC(=O)CN1C[C@@H](CC[C@H](N[C@@H](CCc2ccccc2)C(O)=O)C1=O)c1ccccc1
Show InChI InChI=1S/C24H28N2O5/c27-22(28)16-26-15-19(18-9-5-2-6-10-18)12-14-20(23(26)29)25-21(24(30)31)13-11-17-7-3-1-4-8-17/h1-10,19-21,25H,11-16H2,(H,27,28)(H,30,31)/t19-,20+,21+/m1/s1
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n/an/a 4.30n/an/an/an/an/an/a



Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of rabbit lung Angiotensin I converting enzyme with 5 mM hippuryl-histidyl-leucine as substrate

J Med Chem 31: 422-8 (1988)


BindingDB Entry DOI: 10.7270/Q2S75GWH
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50367254
PNG
(ENALAPRILAT)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O |r|
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 5.70n/an/an/an/an/an/a



Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of rabbit lung Angiotensin I converting enzyme with 5 mM hippuryl-histidyl-leucine as substrate

J Med Chem 31: 422-8 (1988)


BindingDB Entry DOI: 10.7270/Q2S75GWH
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50023302
PNG
(2-(1-Carboxymethyl-2-oxo-7-phenyl-azepan-3-ylamino...)
Show SMILES OC(=O)CN1[C@H](CCC[C@H](N[C@@H](CCc2ccccc2)C(O)=O)C1=O)c1ccccc1
Show InChI InChI=1S/C24H28N2O5/c27-22(28)16-26-21(18-10-5-2-6-11-18)13-7-12-19(23(26)29)25-20(24(30)31)15-14-17-8-3-1-4-9-17/h1-6,8-11,19-21,25H,7,12-16H2,(H,27,28)(H,30,31)/t19-,20-,21+/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of rabbit lung Angiotensin I converting enzyme with 5 mM hippuryl-histidyl-leucine as substrate

J Med Chem 31: 422-8 (1988)


BindingDB Entry DOI: 10.7270/Q2S75GWH
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50023303
PNG
(2-(4-Carboxymethyl-5-oxo-2-phenyl-[1,4]thiazepan-6...)
Show SMILES OC(=O)CN1C[C@@H](SC[C@H](N[C@@H](CCc2ccccc2)C(O)=O)C1=O)c1ccccc1
Show InChI InChI=1S/C23H26N2O5S/c26-21(27)14-25-13-20(17-9-5-2-6-10-17)31-15-19(22(25)28)24-18(23(29)30)12-11-16-7-3-1-4-8-16/h1-10,18-20,24H,11-15H2,(H,26,27)(H,29,30)/t18-,19-,20+/m0/s1
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n/an/a 36n/an/an/an/an/an/a



Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of rabbit lung Angiotensin I converting enzyme with 5 mM hippuryl-histidyl-leucine as substrate

J Med Chem 31: 422-8 (1988)


BindingDB Entry DOI: 10.7270/Q2S75GWH
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50023301
PNG
(2-(4-Carboxymethyl-5-oxo-3-phenyl-[1,4]thiazepan-6...)
Show SMILES OC(=O)CN1[C@H](CSC[C@H](N[C@@H](CCc2ccccc2)C(O)=O)C1=O)c1ccccc1
Show InChI InChI=1S/C23H26N2O5S/c26-21(27)13-25-20(17-9-5-2-6-10-17)15-31-14-19(22(25)28)24-18(23(29)30)12-11-16-7-3-1-4-8-16/h1-10,18-20,24H,11-15H2,(H,26,27)(H,29,30)/t18-,19-,20+/m0/s1
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n/an/a 78n/an/an/an/an/an/a



Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of rabbit lung Angiotensin I converting enzyme with 5 mM hippuryl-histidyl-leucine as substrate

J Med Chem 31: 422-8 (1988)


BindingDB Entry DOI: 10.7270/Q2S75GWH
More data for this
Ligand-Target Pair