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Compile Data Set for Download or QSAR

Found 34 hits of ic50 data for polymerid = 50002017   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Angiotensin-converting enzyme


(Mus musculus)		BDBM50041062
PNG
(3-(4-Hydroxy-phenyl)-2-[2-mercaptomethyl-3-(4-meth...)
Show SMILES COc1ccc(cc1)C(C)C(CS)C(=O)NC(Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C21H25NO5S/c1-13(15-5-9-17(27-2)10-6-15)18(12-28)20(24)22-19(21(25)26)11-14-3-7-16(23)8-4-14/h3-10,13,18-19,23,28H,11-12H2,1-2H3,(H,22,24)(H,25,26)
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n/an/a 3.60n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung

J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Mus musculus)		BDBM50041060
PNG
(2-[3-(3,4-Dimethoxy-phenyl)-2-mercaptomethyl-butyr...)
Show SMILES COc1ccc(cc1OC)C(C)C(CS)C(=O)NC(Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C22H27NO6S/c1-13(15-6-9-19(28-2)20(11-15)29-3)17(12-30)21(25)23-18(22(26)27)10-14-4-7-16(24)8-5-14/h4-9,11,13,17-18,24,30H,10,12H2,1-3H3,(H,23,25)(H,26,27)
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n/an/a 4n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung

J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Mus musculus)		BDBM50041063
PNG
(2-(2-Mercaptomethyl-3-phenyl-butyrylamino)-pentano...)
Show SMILES CCCC(NC(=O)C(CS)C(C)c1ccccc1)C(O)=O
Show InChI InChI=1S/C16H23NO3S/c1-3-7-14(16(19)20)17-15(18)13(10-21)11(2)12-8-5-4-6-9-12/h4-6,8-9,11,13-14,21H,3,7,10H2,1-2H3,(H,17,18)(H,19,20)
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n/an/a 4n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung

J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Mus musculus)		BDBM50041054
PNG
(3-(4-Hydroxy-phenyl)-2-(2-mercaptomethyl-3-phenyl-...)
Show SMILES CC(C(CS)C(=O)NC(Cc1ccc(O)cc1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C20H23NO4S/c1-13(15-5-3-2-4-6-15)17(12-26)19(23)21-18(20(24)25)11-14-7-9-16(22)10-8-14/h2-10,13,17-18,22,26H,11-12H2,1H3,(H,21,23)(H,24,25)
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n/an/a 4.30n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung

J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Mus musculus)		BDBM50041057
PNG
(2-[3-(3,4-Difluoro-phenyl)-2-mercaptomethyl-butyry...)
Show SMILES CC(C(CS)C(=O)NC(Cc1ccc(O)cc1)C(O)=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C20H21F2NO4S/c1-11(13-4-7-16(21)17(22)9-13)15(10-28)19(25)23-18(20(26)27)8-12-2-5-14(24)6-3-12/h2-7,9,11,15,18,24,28H,8,10H2,1H3,(H,23,25)(H,26,27)
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n/an/a 4.5n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung

J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Mus musculus)		BDBM50041053
PNG
(2-[3-(3,4-Difluoro-phenyl)-2-mercaptomethyl-butyry...)
Show SMILES CC(NC(=O)C(CS)C(C)c1ccc(F)c(F)c1)C(O)=O
Show InChI InChI=1S/C14H17F2NO3S/c1-7(9-3-4-11(15)12(16)5-9)10(6-21)13(18)17-8(2)14(19)20/h3-5,7-8,10,21H,6H2,1-2H3,(H,17,18)(H,19,20)
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n/an/a 5n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung

J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Mus musculus)		BDBM50041052
PNG
(2-(2-Mercaptomethyl-3-phenyl-butyrylamino)-butyric...)
Show SMILES CCC(NC(=O)C(CS)C(C)c1ccccc1)C(O)=O
Show InChI InChI=1S/C15H21NO3S/c1-3-13(15(18)19)16-14(17)12(9-20)10(2)11-7-5-4-6-8-11/h4-8,10,12-13,20H,3,9H2,1-2H3,(H,16,17)(H,18,19)
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n/an/a 5.40n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung

J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Mus musculus)		BDBM50041064
PNG
(2-[3-(4-Fluoro-phenyl)-2-mercaptomethyl-butyrylami...)
Show SMILES CC(C(CS)C(=O)NC(Cc1ccc(O)cc1)C(O)=O)c1ccc(F)cc1
Show InChI InChI=1S/C20H22FNO4S/c1-12(14-4-6-15(21)7-5-14)17(11-27)19(24)22-18(20(25)26)10-13-2-8-16(23)9-3-13/h2-9,12,17-18,23,27H,10-11H2,1H3,(H,22,24)(H,25,26)
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n/an/a 6.90n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung

J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Mus musculus)		BDBM50041061
PNG
(2-(2-Mercaptomethyl-3-phenyl-butyrylamino)-hexanoi...)
Show SMILES CCCCC(NC(=O)C(CS)C(C)c1ccccc1)C(O)=O
Show InChI InChI=1S/C17H25NO3S/c1-3-4-10-15(17(20)21)18-16(19)14(11-22)12(2)13-8-6-5-7-9-13/h5-9,12,14-15,22H,3-4,10-11H2,1-2H3,(H,18,19)(H,20,21)
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n/an/a 7n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung

J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Mus musculus)		BDBM50041068
PNG
(3-(4-Hydroxy-phenyl)-2-[3-(4-hydroxy-phenyl)-2-mer...)
Show SMILES CC(C(CS)C(=O)NC(Cc1ccc(O)cc1)C(O)=O)c1ccc(O)cc1
Show InChI InChI=1S/C20H23NO5S/c1-12(14-4-8-16(23)9-5-14)17(11-27)19(24)21-18(20(25)26)10-13-2-6-15(22)7-3-13/h2-9,12,17-18,22-23,27H,10-11H2,1H3,(H,21,24)(H,25,26)
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n/an/a 7.90n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung

J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Mus musculus)		BDBM50041058
PNG
(2-(3-Benzo[1,3]dioxol-5-yl-2-mercaptomethyl-butyry...)
Show SMILES CC(NC(=O)C(CS)C(C)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C15H19NO5S/c1-8(10-3-4-12-13(5-10)21-7-20-12)11(6-22)14(17)16-9(2)15(18)19/h3-5,8-9,11,22H,6-7H2,1-2H3,(H,16,17)(H,18,19)
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n/an/a 9.5n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung

J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Mus musculus)		BDBM50041067
PNG
(2-[3-(4-Fluoro-phenyl)-2-mercaptomethyl-butyrylami...)
Show SMILES CC(NC(=O)C(CS)C(C)c1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C14H18FNO3S/c1-8(10-3-5-11(15)6-4-10)12(7-20)13(17)16-9(2)14(18)19/h3-6,8-9,12,20H,7H2,1-2H3,(H,16,17)(H,18,19)
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n/an/a 10n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung

J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Mus musculus)		BDBM50041055
PNG
(2-[3-(4-Amino-phenyl)-2-mercaptomethyl-butyrylamin...)
Show SMILES CC(C(CS)C(=O)NC(Cc1ccc(O)cc1)C(O)=O)c1ccc(N)cc1
Show InChI InChI=1S/C20H24N2O4S/c1-12(14-4-6-15(21)7-5-14)17(11-27)19(24)22-18(20(25)26)10-13-2-8-16(23)9-3-13/h2-9,12,17-18,23,27H,10-11,21H2,1H3,(H,22,24)(H,25,26)
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n/an/a 12n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung

J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Mus musculus)		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 12n/an/an/an/an/an/a



Ranbaxy Laboratories Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against human renin inhibition (at pH 7.4)

Bioorg Med Chem Lett 27: 2313-2318 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.036
BindingDB Entry DOI: 10.7270/Q2ZC858S
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Mus musculus)		BDBM50041051
PNG
(2-[3-(4-Hydroxy-3-methoxy-phenyl)-2-mercaptomethyl...)
Show SMILES COc1cc(ccc1O)C(C)C(CS)C(=O)NC(Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C21H25NO6S/c1-12(14-5-8-18(24)19(10-14)28-2)16(11-29)20(25)22-17(21(26)27)9-13-3-6-15(23)7-4-13/h3-8,10,12,16-17,23-24,29H,9,11H2,1-2H3,(H,22,25)(H,26,27)
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n/an/a 14n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung

J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Mus musculus)		BDBM50041059
PNG
(2-(2-Mercaptomethyl-3-phenyl-butyrylamino)-4-methy...)
Show SMILES CC(C)CC(NC(=O)C(CS)C(C)c1ccccc1)C(O)=O
Show InChI InChI=1S/C17H25NO3S/c1-11(2)9-15(17(20)21)18-16(19)14(10-22)12(3)13-7-5-4-6-8-13/h4-8,11-12,14-15,22H,9-10H2,1-3H3,(H,18,19)(H,20,21)
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n/an/a 19n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung

J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Mus musculus)		BDBM50407297
PNG
(CHEMBL2052008)
Show SMILES C[C@H](NC(=O)[C@H](CS)[C@@H](C)c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C14H19NO3S/c1-9(11-6-4-3-5-7-11)12(8-19)13(16)15-10(2)14(17)18/h3-7,9-10,12,19H,8H2,1-2H3,(H,15,16)(H,17,18)/t9-,10-,12+/m0/s1
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INSERM

Curated by ChEMBL


Assay Description
Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung

J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Mus musculus)		BDBM50041069
PNG
(3-(4-Hydroxy-phenyl)-2-(2-mercaptomethyl-3-phenyl-...)
Show SMILES OC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CS)Cc1ccccc1
Show InChI InChI=1S/C19H21NO4S/c21-16-8-6-14(7-9-16)11-17(19(23)24)20-18(22)15(12-25)10-13-4-2-1-3-5-13/h1-9,15,17,21,25H,10-12H2,(H,20,22)(H,23,24)
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n/an/a 25n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung

J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Mus musculus)		BDBM50041071
PNG
((2-Mercaptomethyl-3-phenyl-butyrylamino)-acetic ac...)
Show SMILES CC(C(CS)C(=O)NCC(O)=O)c1ccccc1
Show InChI InChI=1S/C13H17NO3S/c1-9(10-5-3-2-4-6-10)11(8-18)13(17)14-7-12(15)16/h2-6,9,11,18H,7-8H2,1H3,(H,14,17)(H,15,16)
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n/an/a 32n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung

J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Mus musculus)		BDBM50041066
PNG
(3-Benzyloxy-2-(2-mercaptomethyl-3-phenyl-butyrylam...)
Show SMILES CC(C(CS)C(=O)NC(COCc1ccccc1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C21H25NO4S/c1-15(17-10-6-3-7-11-17)18(14-27)20(23)22-19(21(24)25)13-26-12-16-8-4-2-5-9-16/h2-11,15,18-19,27H,12-14H2,1H3,(H,22,23)(H,24,25)
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n/an/a 43n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung

J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Mus musculus)		BDBM50242266
PNG
(CHEMBL4067185)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1C[C@H](C[C@H]1C(O)=O)NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C28H33F3N4O6/c1-15(33-23(27(38)39)8-7-16-5-3-2-4-6-16)26(37)35-14-19(12-24(35)28(40)41)34-25(36)11-18(32)9-17-10-21(30)22(31)13-20(17)29/h2-6,10,13,15,18-19,23-24,33H,7-9,11-12,14,32H2,1H3,(H,34,36)(H,38,39)(H,40,41)/t15-,18+,19-,23-,24-/m0/s1
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n/an/a 58n/an/an/an/an/an/a



Ranbaxy Laboratories Limited

Curated by ChEMBL


Assay Description
Inhibition of ob/ob mouse plasma ACE

Bioorg Med Chem Lett 27: 2313-2318 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.036
BindingDB Entry DOI: 10.7270/Q2ZC858S
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Mus musculus)		BDBM50041065
PNG
(2-(2-Mercaptomethyl-3-phenyl-butyrylamino)-3-methy...)
Show SMILES CC(C)C(NC(=O)C(CS)C(C)c1ccccc1)C(O)=O
Show InChI InChI=1S/C16H23NO3S/c1-10(2)14(16(19)20)17-15(18)13(9-21)11(3)12-7-5-4-6-8-12/h4-8,10-11,13-14,21H,9H2,1-3H3,(H,17,18)(H,19,20)
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n/an/a 100n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung

J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Mus musculus)		BDBM50242264
PNG
(CHEMBL4086264)
Show SMILES CC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1C[C@H](C[C@H]1C(O)=O)NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C29H35F3N4O6/c1-2-23(35-24(28(39)40)9-8-16-6-4-3-5-7-16)27(38)36-15-19(13-25(36)29(41)42)34-26(37)12-18(33)10-17-11-21(31)22(32)14-20(17)30/h3-7,11,14,18-19,23-25,35H,2,8-10,12-13,15,33H2,1H3,(H,34,37)(H,39,40)(H,41,42)/t18-,19+,23+,24+,25+/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Ranbaxy Laboratories Limited

Curated by ChEMBL


Assay Description
Inhibition of ob/ob mouse plasma ACE

Bioorg Med Chem Lett 27: 2313-2318 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.036
BindingDB Entry DOI: 10.7270/Q2ZC858S
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Mus musculus)		BDBM50041070
PNG
(3-(4-Hydroxy-phenyl)-2-(2-mercaptomethyl-3-phenyl-...)
Show SMILES CCC(C(CS)C(=O)NC(Cc1ccc(O)cc1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C21H25NO4S/c1-2-17(15-6-4-3-5-7-15)18(13-27)20(24)22-19(21(25)26)12-14-8-10-16(23)11-9-14/h3-11,17-19,23,27H,2,12-13H2,1H3,(H,22,24)(H,25,26)
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INSERM

Curated by ChEMBL


Assay Description
Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung

J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Mus musculus)		BDBM50041050
PNG
(3-(4-Hydroxy-phenyl)-2-(2-mercaptomethyl-3-o-tolyl...)
Show SMILES CC(C(CS)C(=O)NC(Cc1ccc(O)cc1)C(O)=O)c1ccccc1C
Show InChI InChI=1S/C21H25NO4S/c1-13-5-3-4-6-17(13)14(2)18(12-27)20(24)22-19(21(25)26)11-15-7-9-16(23)10-8-15/h3-10,14,18-19,23,27H,11-12H2,1-2H3,(H,22,24)(H,25,26)
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n/an/a 210n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung

J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Mus musculus)		BDBM50027518
PNG
((2S)-2-[(2R)-2-[(carboxylatomethyl)amino]-3-phenyl...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C17H24N2O5/c1-11(2)8-14(17(23)24)19-16(22)13(18-10-15(20)21)9-12-6-4-3-5-7-12/h3-7,11,13-14,18H,8-10H2,1-2H3,(H,19,22)(H,20,21)(H,23,24)/t13-,14-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
50% Inhibitory potency against angiotensin I converting enzyme from mouse striatum.

J Med Chem 26: 60-5 (1983)


BindingDB Entry DOI: 10.7270/Q2Q81DP6
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Mus musculus)		BDBM50242265
PNG
(CHEMBL4078112)
Show SMILES CCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1C[C@H](C[C@H]1C(O)=O)NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C30H37F3N4O6/c1-2-6-24(36-25(29(40)41)10-9-17-7-4-3-5-8-17)28(39)37-16-20(14-26(37)30(42)43)35-27(38)13-19(34)11-18-12-22(32)23(33)15-21(18)31/h3-5,7-8,12,15,19-20,24-26,36H,2,6,9-11,13-14,16,34H2,1H3,(H,35,38)(H,40,41)(H,42,43)/t19-,20+,24+,25+,26+/m1/s1
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n/an/a 2.02E+3n/an/an/an/an/an/a



Ranbaxy Laboratories Limited

Curated by ChEMBL


Assay Description
Inhibition of ob/ob mouse plasma ACE

Bioorg Med Chem Lett 27: 2313-2318 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.036
BindingDB Entry DOI: 10.7270/Q2ZC858S
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Mus musculus)		BDBM50242274
PNG
(CHEMBL4090635)
Show SMILES CCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1C[C@H](C[C@H]1C(O)=O)NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C31H39F3N4O6/c1-2-3-9-25(37-26(30(41)42)11-10-18-7-5-4-6-8-18)29(40)38-17-21(15-27(38)31(43)44)36-28(39)14-20(35)12-19-13-23(33)24(34)16-22(19)32/h4-8,13,16,20-21,25-27,37H,2-3,9-12,14-15,17,35H2,1H3,(H,36,39)(H,41,42)(H,43,44)/t20-,21+,25+,26+,27+/m1/s1
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n/an/a 2.21E+3n/an/an/an/an/an/a



Ranbaxy Laboratories Limited

Curated by ChEMBL


Assay Description
Inhibition of ob/ob mouse plasma ACE

Bioorg Med Chem Lett 27: 2313-2318 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.036
BindingDB Entry DOI: 10.7270/Q2ZC858S
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Mus musculus)		BDBM50452141
PNG
(CHEMBL2372595)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C14H18N2O5/c1-9(14(20)21)16-13(19)11(15-8-12(17)18)7-10-5-3-2-4-6-10/h2-6,9,11,15H,7-8H2,1H3,(H,16,19)(H,17,18)(H,20,21)/t9-,11-/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
50% Inhibitory potency against angiotensin I converting enzyme from mouse striatum.

J Med Chem 26: 60-5 (1983)


BindingDB Entry DOI: 10.7270/Q2Q81DP6
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Mus musculus)		BDBM50027514
PNG
(2-(2-Carboxymethyl-3-phenyl-propionylamino)-4-meth...)
Show SMILES CC(C)CC(NC(=O)C(CC([O-])=O)Cc1ccccc1)C([O-])=O
Show InChI InChI=1S/C17H23NO5/c1-11(2)8-14(17(22)23)18-16(21)13(10-15(19)20)9-12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3,(H,18,21)(H,19,20)(H,22,23)/p-2
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n/an/a 2.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
50% Inhibitory potency against angiotensin I converting enzyme from mouse striatum.

J Med Chem 26: 60-5 (1983)


BindingDB Entry DOI: 10.7270/Q2Q81DP6
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Mus musculus)		BDBM50027513
PNG
(2-[2-(2-Carboxy-ethylamino)-3-phenyl-propionylamin...)
Show SMILES CC(C)CC(NC(=O)C(Cc1ccccc1)NCCC([O-])=O)C([O-])=O
Show InChI InChI=1S/C18H26N2O5/c1-12(2)10-15(18(24)25)20-17(23)14(19-9-8-16(21)22)11-13-6-4-3-5-7-13/h3-7,12,14-15,19H,8-11H2,1-2H3,(H,20,23)(H,21,22)(H,24,25)/p-2
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
50% Inhibitory potency against angiotensin I converting enzyme from mouse striatum.

J Med Chem 26: 60-5 (1983)


BindingDB Entry DOI: 10.7270/Q2Q81DP6
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Mus musculus)		BDBM50027516
PNG
(2-(2-Amino-3-phenyl-propionylamino)-4-methyl-penta...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C15H22N2O3/c1-10(2)8-13(15(19)20)17-14(18)12(16)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9,16H2,1-2H3,(H,17,18)(H,19,20)/t12-,13-/m0/s1
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n/an/a 7.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
50% Inhibitory potency against Angiotensin I converting enzyme from mouse striatum.

J Med Chem 26: 60-5 (1983)


BindingDB Entry DOI: 10.7270/Q2Q81DP6
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Mus musculus)		BDBM50027522
PNG
(2-(2-Carboxy-3-phenyl-propionylamino)-4-methyl-pen...)
Show SMILES CC(C)CC(NC(=O)C(Cc1ccccc1)C([O-])=O)C([O-])=O
Show InChI InChI=1S/C16H21NO5/c1-10(2)8-13(16(21)22)17-14(18)12(15(19)20)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)/p-2
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TBA

Curated by ChEMBL


Assay Description
50% Inhibitory potency against Angiotensin I converting enzyme from mouse striatum.

J Med Chem 26: 60-5 (1983)


BindingDB Entry DOI: 10.7270/Q2Q81DP6
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Mus musculus)		BDBM50139892
PNG
((S)-2-((S)-2-Amino-3-phenyl-propionylamino)-propio...)
Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C12H16N2O3/c1-8(12(16)17)14-11(15)10(13)7-9-5-3-2-4-6-9/h2-6,8,10H,7,13H2,1H3,(H,14,15)(H,16,17)/t8-,10-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
50% Inhibitory potency against Angiotensin I converting enzyme from mouse striatum.

J Med Chem 26: 60-5 (1983)


BindingDB Entry DOI: 10.7270/Q2Q81DP6
More data for this
Ligand-Target Pair