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PubMed code 9873497

Compile data set for download or QSAR
Found 17 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
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50071302
PNG
(6-(2-Benzyl-thiazol-4-yl)-5-methoxy-pyridine-2-car...)
Show SMILES COc1ccc(nc1-c1csc(Cc2ccccc2)n1)C(O)=O
Show InChI InChI=1S/C17H14N2O3S/c1-22-14-8-7-12(17(20)21)19-16(14)13-10-23-15(18-13)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,20,21)
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n/an/a 860n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Endothelin-converting enzyme 1.


Bioorg Med Chem Lett 8: 2117-22 (1999)


Article DOI: 10.1016/s0960-894x(98)00375-8
BindingDB Entry DOI: 10.7270/Q2CC0ZVM
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50071304
PNG
(5-Methoxy-6-(2-phenethyl-thiazol-4-yl)-pyridine-2-...)
Show SMILES COc1ccc(nc1-c1csc(CCc2ccccc2)n1)C(O)=O
Show InChI InChI=1S/C18H16N2O3S/c1-23-15-9-8-13(18(21)22)20-17(15)14-11-24-16(19-14)10-7-12-5-3-2-4-6-12/h2-6,8-9,11H,7,10H2,1H3,(H,21,22)
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n/an/a 980n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Endothelin-converting enzyme 1.


Bioorg Med Chem Lett 8: 2117-22 (1999)


Article DOI: 10.1016/s0960-894x(98)00375-8
BindingDB Entry DOI: 10.7270/Q2CC0ZVM
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50071306
PNG
(5-Methoxy-6-(2-phenyl-thiazol-4-yl)-pyridine-2-car...)
Show SMILES COc1ccc(nc1-c1csc(n1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C16H12N2O3S/c1-21-13-8-7-11(16(19)20)17-14(13)12-9-22-15(18-12)10-5-3-2-4-6-10/h2-9H,1H3,(H,19,20)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Endothelin-converting enzyme 1.


Bioorg Med Chem Lett 8: 2117-22 (1999)


Article DOI: 10.1016/s0960-894x(98)00375-8
BindingDB Entry DOI: 10.7270/Q2CC0ZVM
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50071312
PNG
(6-[2-(6-Hydroxy-heptyl)-thiazol-4-yl]-4,5-dimethox...)
Show SMILES COc1cc(nc(-c2csc(CCCCCC(C)O)n2)c1OC)C(O)=O
Show InChI InChI=1S/C18H24N2O5S/c1-11(21)7-5-4-6-8-15-19-13(10-26-15)16-17(25-3)14(24-2)9-12(20-16)18(22)23/h9-11,21H,4-8H2,1-3H3,(H,22,23)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Endothelin-converting enzyme 1.


Bioorg Med Chem Lett 8: 2117-22 (1999)


Article DOI: 10.1016/s0960-894x(98)00375-8
BindingDB Entry DOI: 10.7270/Q2CC0ZVM
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50071317
PNG
(6-(2-Heptyl-thiazol-4-yl)-4,5-dimethoxy-pyridine-2...)
Show SMILES CCCCCCCc1nc(cs1)-c1nc(cc(OC)c1OC)C(O)=O
Show InChI InChI=1S/C18H24N2O4S/c1-4-5-6-7-8-9-15-19-13(11-25-15)16-17(24-3)14(23-2)10-12(20-16)18(21)22/h10-11H,4-9H2,1-3H3,(H,21,22)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Endothelin-converting enzyme 1.


Bioorg Med Chem Lett 8: 2117-22 (1999)


Article DOI: 10.1016/s0960-894x(98)00375-8
BindingDB Entry DOI: 10.7270/Q2CC0ZVM
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50071315
PNG
(5-Methoxy-6-(2-methyl-thiazol-4-yl)-pyridine-2-car...)
Show SMILES COc1ccc(nc1-c1csc(C)n1)C(O)=O
Show InChI InChI=1S/C11H10N2O3S/c1-6-12-8(5-17-6)10-9(16-2)4-3-7(13-10)11(14)15/h3-5H,1-2H3,(H,14,15)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Endothelin-converting enzyme 1.


Bioorg Med Chem Lett 8: 2117-22 (1999)


Article DOI: 10.1016/s0960-894x(98)00375-8
BindingDB Entry DOI: 10.7270/Q2CC0ZVM
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50071316
PNG
(4,5-Dimethoxy-6-(2-methyl-thiazol-4-yl)-pyridine-2...)
Show SMILES COc1cc(nc(-c2csc(C)n2)c1OC)C(O)=O
Show InChI InChI=1S/C12H12N2O4S/c1-6-13-8(5-19-6)10-11(18-3)9(17-2)4-7(14-10)12(15)16/h4-5H,1-3H3,(H,15,16)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Endothelin-converting enzyme 1.


Bioorg Med Chem Lett 8: 2117-22 (1999)


Article DOI: 10.1016/s0960-894x(98)00375-8
BindingDB Entry DOI: 10.7270/Q2CC0ZVM
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50071309
PNG
(5-Methoxy-6-(2-naphthalen-2-yl-thiazol-4-yl)-pyrid...)
Show SMILES COc1ccc(nc1-c1csc(n1)-c1ccc2ccccc2c1)C(O)=O
Show InChI InChI=1S/C20H14N2O3S/c1-25-17-9-8-15(20(23)24)21-18(17)16-11-26-19(22-16)14-7-6-12-4-2-3-5-13(12)10-14/h2-11H,1H3,(H,23,24)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Endothelin-converting enzyme 1.


Bioorg Med Chem Lett 8: 2117-22 (1999)


Article DOI: 10.1016/s0960-894x(98)00375-8
BindingDB Entry DOI: 10.7270/Q2CC0ZVM
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50071303
PNG
(6-(1H-Imidazol-4-yl)-5-methoxy-pyridine-2-carboxyl...)
Show SMILES COc1ccc(nc1-c1c[nH]cn1)C(O)=O
Show InChI InChI=1S/C10H9N3O3/c1-16-8-3-2-6(10(14)15)13-9(8)7-4-11-5-12-7/h2-5H,1H3,(H,11,12)(H,14,15)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Endothelin-converting enzyme 1.


Bioorg Med Chem Lett 8: 2117-22 (1999)


Article DOI: 10.1016/s0960-894x(98)00375-8
BindingDB Entry DOI: 10.7270/Q2CC0ZVM
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50071311
PNG
(4,5-Dimethoxy-6-(2-methylamino-thiazol-4-yl)-pyrid...)
Show SMILES CNc1nc(cs1)-c1nc(cc(OC)c1OC)C(O)=O
Show InChI InChI=1S/C12H13N3O4S/c1-13-12-15-7(5-20-12)9-10(19-3)8(18-2)4-6(14-9)11(16)17/h4-5H,1-3H3,(H,13,15)(H,16,17)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Endothelin-converting enzyme 1.


Bioorg Med Chem Lett 8: 2117-22 (1999)


Article DOI: 10.1016/s0960-894x(98)00375-8
BindingDB Entry DOI: 10.7270/Q2CC0ZVM
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50071308
PNG
(4,5-Dimethoxy-6-thiazol-4-yl-pyridine-2-carboxylic...)
Show SMILES COc1cc(nc(-c2cscn2)c1OC)C(O)=O
Show InChI InChI=1S/C11H10N2O4S/c1-16-8-3-6(11(14)15)13-9(10(8)17-2)7-4-18-5-12-7/h3-5H,1-2H3,(H,14,15)
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n/an/a 4.30E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Endothelin-converting enzyme 1.


Bioorg Med Chem Lett 8: 2117-22 (1999)


Article DOI: 10.1016/s0960-894x(98)00375-8
BindingDB Entry DOI: 10.7270/Q2CC0ZVM
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50071313
PNG
(6-(2-Methyl-thiazol-4-yl)-pyridine-2-carboxylic ac...)
Show SMILES Cc1nc(cs1)-c1cccc(n1)C(O)=O
Show InChI InChI=1S/C10H8N2O2S/c1-6-11-9(5-15-6)7-3-2-4-8(12-7)10(13)14/h2-5H,1H3,(H,13,14)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Endothelin-converting enzyme 1.


Bioorg Med Chem Lett 8: 2117-22 (1999)


Article DOI: 10.1016/s0960-894x(98)00375-8
BindingDB Entry DOI: 10.7270/Q2CC0ZVM
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50071310
PNG
(6-(2-Biphenyl-4-yl-thiazol-4-yl)-5-methoxy-pyridin...)
Show SMILES COc1ccc(nc1-c1csc(n1)-c1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C22H16N2O3S/c1-27-19-12-11-17(22(25)26)23-20(19)18-13-28-21(24-18)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-13H,1H3,(H,25,26)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Endothelin-converting enzyme 1.


Bioorg Med Chem Lett 8: 2117-22 (1999)


Article DOI: 10.1016/s0960-894x(98)00375-8
BindingDB Entry DOI: 10.7270/Q2CC0ZVM
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50071305
PNG
(5-Methoxy-6-thiazol-2-yl-pyridine-2-carboxylic aci...)
Show SMILES COc1ccc(nc1-c1nccs1)C(O)=O
Show InChI InChI=1S/C10H8N2O3S/c1-15-7-3-2-6(10(13)14)12-8(7)9-11-4-5-16-9/h2-5H,1H3,(H,13,14)
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n/an/a 2.40E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Endothelin-converting enzyme 1.


Bioorg Med Chem Lett 8: 2117-22 (1999)


Article DOI: 10.1016/s0960-894x(98)00375-8
BindingDB Entry DOI: 10.7270/Q2CC0ZVM
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50071301
PNG
(4,5-Dimethoxy-6-(1-methyl-1H-pyrrol-2-yl)-pyridine...)
Show SMILES COc1cc(nc(-c2cccn2C)c1OC)C(O)=O
Show InChI InChI=1S/C13H14N2O4/c1-15-6-4-5-9(15)11-12(19-3)10(18-2)7-8(14-11)13(16)17/h4-7H,1-3H3,(H,16,17)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Endothelin-converting enzyme 1.


Bioorg Med Chem Lett 8: 2117-22 (1999)


Article DOI: 10.1016/s0960-894x(98)00375-8
BindingDB Entry DOI: 10.7270/Q2CC0ZVM
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50071307
PNG
(4,5-Dimethoxy-6-thiophen-3-yl-pyridine-2-carboxyli...)
Show SMILES COc1cc(nc(-c2ccsc2)c1OC)C(O)=O
Show InChI InChI=1S/C12H11NO4S/c1-16-9-5-8(12(14)15)13-10(11(9)17-2)7-3-4-18-6-7/h3-6H,1-2H3,(H,14,15)
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Endothelin-converting enzyme 1.


Bioorg Med Chem Lett 8: 2117-22 (1999)


Article DOI: 10.1016/s0960-894x(98)00375-8
BindingDB Entry DOI: 10.7270/Q2CC0ZVM
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50071314
PNG
(6-Furan-3-yl-4,5-dimethoxy-pyridine-2-carboxylic a...)
Show SMILES COc1cc(nc(-c2ccoc2)c1OC)C(O)=O
Show InChI InChI=1S/C12H11NO5/c1-16-9-5-8(12(14)15)13-10(11(9)17-2)7-3-4-18-6-7/h3-6H,1-2H3,(H,14,15)
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Endothelin-converting enzyme 1.


Bioorg Med Chem Lett 8: 2117-22 (1999)


Article DOI: 10.1016/s0960-894x(98)00375-8
BindingDB Entry DOI: 10.7270/Q2CC0ZVM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%