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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 584.6
BDBM50085452
Wt: 530.6
BDBM50344187
Wt: 395.4
BDBM50344188
Wt: 423.5
BDBM50344189
Wt: 443.4
BDBM50344190
Wt: 443.4
BDBM50344191
Wt: 459.4
BDBM50344192
Wt: 459.4
BDBM50344193
Wt: 473.5
BDBM50344194
Wt: 493.9
BDBM50344195
Wt: 460.4
BDBM50344196
Wt: 460.4
BDBM50344197

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 27 hits in this display   
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
Neprilysin


(Homo sapiens (Human))
BDBM50344195
PNG
((S)-2-(1-((S)-1-carboxy-2-(5-(4-chlorophenyl)oxazo...)
Show SMILES COCC[C@H](NC1(CCCC1)C(=O)N[C@@H](Cc1ncc(o1)-c1ccc(Cl)cc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C23H28ClN3O7/c1-33-11-8-16(20(28)29)27-23(9-2-3-10-23)22(32)26-17(21(30)31)12-19-25-13-18(34-19)14-4-6-15(24)7-5-14/h4-7,13,16-17,27H,2-3,8-12H2,1H3,(H,26,32)(H,28,29)(H,30,31)/t16-,17-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase


Bioorg Med Chem Lett 21: 3404-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.109
BindingDB Entry DOI: 10.7270/Q2PG1S2F
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50344193
PNG
((S)-2-(1-((S)-1-carboxy-2-(5-phenyloxazol-2-yl)eth...)
Show SMILES COCC[C@H](NC1(CCCC1)C(=O)N[C@@H](Cc1ncc(o1)-c1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C23H29N3O7/c1-32-12-9-16(20(27)28)26-23(10-5-6-11-23)22(31)25-17(21(29)30)13-19-24-14-18(33-19)15-7-3-2-4-8-15/h2-4,7-8,14,16-17,26H,5-6,9-13H2,1H3,(H,25,31)(H,27,28)(H,29,30)/t16-,17-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase


Bioorg Med Chem Lett 21: 3404-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.109
BindingDB Entry DOI: 10.7270/Q2PG1S2F
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50344191
PNG
((S)-2-(1-((S)-1-carboxy-2-(5-phenyloxazol-2-yl)eth...)
Show SMILES CCC[C@H](NC1(CCCC1)C(=O)N[C@@H](Cc1ncc(o1)-c1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C23H29N3O6/c1-2-8-16(20(27)28)26-23(11-6-7-12-23)22(31)25-17(21(29)30)13-19-24-14-18(32-19)15-9-4-3-5-10-15/h3-5,9-10,14,16-17,26H,2,6-8,11-13H2,1H3,(H,25,31)(H,27,28)(H,29,30)/t16-,17-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase


Bioorg Med Chem Lett 21: 3404-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.109
BindingDB Entry DOI: 10.7270/Q2PG1S2F
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50085452
PNG
((S)-2-[((S)-6-Amino-2-methanesulfonylamino-hexanoy...)
Show SMILES CS(=O)(=O)N[C@@H](CCCCN)C(=O)NC[C@H](CC1(CCCC1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C26H40N4O9S/c1-40(38,39)30-20(6-2-5-13-27)22(32)28-16-18(23(33)34)15-26(11-3-4-12-26)25(37)29-21(24(35)36)14-17-7-9-19(31)10-8-17/h7-10,18,20-21,30-31H,2-6,11-16,27H2,1H3,(H,28,32)(H,29,37)(H,33,34)(H,35,36)/t18-,20-,21-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase


Bioorg Med Chem Lett 21: 3404-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.109
BindingDB Entry DOI: 10.7270/Q2PG1S2F
More data for this
Ligand-Target Pair
Atrial natriuretic factor


(Homo sapiens)
BDBM50344187
PNG
((S)-2-((S)-1-((S)-2-(biphenyl-4-yl)-1-carboxyethyl...)
Show SMILES CC(C)CC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C32H38N2O5/c1-22(2)13-19-27(33-28(31(36)37)20-16-23-9-5-3-6-10-23)30(35)34-29(32(38)39)21-24-14-17-26(18-15-24)25-11-7-4-8-12-25/h3-12,14-15,17-18,22,27-29,33H,13,16,19-21H2,1-2H3,(H,34,35)(H,36,37)(H,38,39)/t27-,28-,29-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of atrial natriuretic peptide


Bioorg Med Chem Lett 21: 3404-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.109
BindingDB Entry DOI: 10.7270/Q2PG1S2F
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50344197
PNG
((S)-2-(1-((S)-1-carboxy-2-(3-phenyl-1,2,4-oxadiazo...)
Show SMILES COCC[C@H](NC1(CCCC1)C(=O)N[C@@H](Cc1nc(no1)-c1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C22H28N4O7/c1-32-12-9-15(19(27)28)25-22(10-5-6-11-22)21(31)23-16(20(29)30)13-17-24-18(26-33-17)14-7-3-2-4-8-14/h2-4,7-8,15-16,25H,5-6,9-13H2,1H3,(H,23,31)(H,27,28)(H,29,30)/t15-,16-/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase


Bioorg Med Chem Lett 21: 3404-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.109
BindingDB Entry DOI: 10.7270/Q2PG1S2F
More data for this
Ligand-Target Pair
Atrial natriuretic factor


(Homo sapiens)
BDBM50085452
PNG
((S)-2-[((S)-6-Amino-2-methanesulfonylamino-hexanoy...)
Show SMILES CS(=O)(=O)N[C@@H](CCCCN)C(=O)NC[C@H](CC1(CCCC1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C26H40N4O9S/c1-40(38,39)30-20(6-2-5-13-27)22(32)28-16-18(23(33)34)15-26(11-3-4-12-26)25(37)29-21(24(35)36)14-17-7-9-19(31)10-8-17/h7-10,18,20-21,30-31H,2-6,11-16,27H2,1H3,(H,28,32)(H,29,37)(H,33,34)(H,35,36)/t18-,20-,21-/m0/s1
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n/an/a 3.40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of atrial natriuretic peptide


Bioorg Med Chem Lett 21: 3404-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.109
BindingDB Entry DOI: 10.7270/Q2PG1S2F
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50344192
PNG
((S)-2-(1-((S)-1-carboxy-2-(4-phenyloxazol-2-yl)eth...)
Show SMILES COCC[C@H](NC1(CCCC1)C(=O)N[C@@H](Cc1nc(co1)-c1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C23H29N3O7/c1-32-12-9-16(20(27)28)26-23(10-5-6-11-23)22(31)25-17(21(29)30)13-19-24-18(14-33-19)15-7-3-2-4-8-15/h2-4,7-8,14,16-17,26H,5-6,9-13H2,1H3,(H,25,31)(H,27,28)(H,29,30)/t16-,17-/m0/s1
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n/an/a 4.80n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase


Bioorg Med Chem Lett 21: 3404-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.109
BindingDB Entry DOI: 10.7270/Q2PG1S2F
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50344194
PNG
((S)-2-(1-((S)-1-carboxy-2-(4-methyl-5-phenyloxazol...)
Show SMILES COCC[C@H](NC1(CCCC1)C(=O)N[C@@H](Cc1nc(C)c(o1)-c1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C24H31N3O7/c1-15-20(16-8-4-3-5-9-16)34-19(25-15)14-18(22(30)31)26-23(32)24(11-6-7-12-24)27-17(21(28)29)10-13-33-2/h3-5,8-9,17-18,27H,6-7,10-14H2,1-2H3,(H,26,32)(H,28,29)(H,30,31)/t17-,18-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase


Bioorg Med Chem Lett 21: 3404-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.109
BindingDB Entry DOI: 10.7270/Q2PG1S2F
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50344196
PNG
((S)-2-(1-((S)-1-carboxy-2-(5-phenyl-1,3,4-oxadiazo...)
Show SMILES COCC[C@H](NC1(CCCC1)C(=O)N[C@@H](Cc1nnc(o1)-c1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C22H28N4O7/c1-32-12-9-15(19(27)28)24-22(10-5-6-11-22)21(31)23-16(20(29)30)13-17-25-26-18(33-17)14-7-3-2-4-8-14/h2-4,7-8,15-16,24H,5-6,9-13H2,1H3,(H,23,31)(H,27,28)(H,29,30)/t15-,16-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase


Bioorg Med Chem Lett 21: 3404-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.109
BindingDB Entry DOI: 10.7270/Q2PG1S2F
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50344190
PNG
((S)-2-(1-((S)-1-carboxy-2-(4-phenyloxazol-2-yl)eth...)
Show SMILES CCC[C@H](NC1(CCCC1)C(=O)N[C@@H](Cc1nc(co1)-c1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C23H29N3O6/c1-2-8-16(20(27)28)26-23(11-6-7-12-23)22(31)25-17(21(29)30)13-19-24-18(14-32-19)15-9-4-3-5-10-15/h3-5,9-10,14,16-17,26H,2,6-8,11-13H2,1H3,(H,25,31)(H,27,28)(H,29,30)/t16-,17-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase


Bioorg Med Chem Lett 21: 3404-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.109
BindingDB Entry DOI: 10.7270/Q2PG1S2F
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50085452
PNG
((S)-2-[((S)-6-Amino-2-methanesulfonylamino-hexanoy...)
Show SMILES CS(=O)(=O)N[C@@H](CCCCN)C(=O)NC[C@H](CC1(CCCC1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C26H40N4O9S/c1-40(38,39)30-20(6-2-5-13-27)22(32)28-16-18(23(33)34)15-26(11-3-4-12-26)25(37)29-21(24(35)36)14-17-7-9-19(31)10-8-17/h7-10,18,20-21,30-31H,2-6,11-16,27H2,1H3,(H,28,32)(H,29,37)(H,33,34)(H,35,36)/t18-,20-,21-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme


Bioorg Med Chem Lett 10: 257-60 (2000)


Article DOI: 10.1016/s0960-894x(99)00671-x
BindingDB Entry DOI: 10.7270/Q2BK1BJ8
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50344189
PNG
((S)-2-(1-((S)-1-carboxy-2-(4-isobutyloxazol-2-yl)e...)
Show SMILES CCC[C@H](NC1(CCCC1)C(=O)N[C@@H](Cc1nc(CC(C)C)co1)C(O)=O)C(O)=O
Show InChI InChI=1S/C21H33N3O6/c1-4-7-15(18(25)26)24-21(8-5-6-9-21)20(29)23-16(19(27)28)11-17-22-14(12-30-17)10-13(2)3/h12-13,15-16,24H,4-11H2,1-3H3,(H,23,29)(H,25,26)(H,27,28)/t15-,16-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase


Bioorg Med Chem Lett 21: 3404-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.109
BindingDB Entry DOI: 10.7270/Q2PG1S2F
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50085452
PNG
((S)-2-[((S)-6-Amino-2-methanesulfonylamino-hexanoy...)
Show SMILES CS(=O)(=O)N[C@@H](CCCCN)C(=O)NC[C@H](CC1(CCCC1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C26H40N4O9S/c1-40(38,39)30-20(6-2-5-13-27)22(32)28-16-18(23(33)34)15-26(11-3-4-12-26)25(37)29-21(24(35)36)14-17-7-9-19(31)10-8-17/h7-10,18,20-21,30-31H,2-6,11-16,27H2,1H3,(H,28,32)(H,29,37)(H,33,34)(H,35,36)/t18-,20-,21-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Neutral endopeptidase


Bioorg Med Chem Lett 10: 257-60 (2000)


Article DOI: 10.1016/s0960-894x(99)00671-x
BindingDB Entry DOI: 10.7270/Q2BK1BJ8
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50344188
PNG
((S)-2-(1-((S)-1-carboxy-2-(4-ethyloxazol-2-yl)ethy...)
Show SMILES CCC[C@H](NC1(CCCC1)C(=O)N[C@@H](Cc1nc(CC)co1)C(O)=O)C(O)=O
Show InChI InChI=1S/C19H29N3O6/c1-3-7-13(16(23)24)22-19(8-5-6-9-19)18(27)21-14(17(25)26)10-15-20-12(4-2)11-28-15/h11,13-14,22H,3-10H2,1-2H3,(H,21,27)(H,23,24)(H,25,26)/t13-,14-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase


Bioorg Med Chem Lett 21: 3404-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.109
BindingDB Entry DOI: 10.7270/Q2PG1S2F
More data for this
Ligand-Target Pair
Atrial natriuretic factor


(Homo sapiens)
BDBM50344190
PNG
((S)-2-(1-((S)-1-carboxy-2-(4-phenyloxazol-2-yl)eth...)
Show SMILES CCC[C@H](NC1(CCCC1)C(=O)N[C@@H](Cc1nc(co1)-c1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C23H29N3O6/c1-2-8-16(20(27)28)26-23(11-6-7-12-23)22(31)25-17(21(29)30)13-19-24-18(14-32-19)15-9-4-3-5-10-15/h3-5,9-10,14,16-17,26H,2,6-8,11-13H2,1H3,(H,25,31)(H,27,28)(H,29,30)/t16-,17-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of atrial natriuretic peptide


Bioorg Med Chem Lett 21: 3404-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.109
BindingDB Entry DOI: 10.7270/Q2PG1S2F
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50344187
PNG
((S)-2-((S)-1-((S)-2-(biphenyl-4-yl)-1-carboxyethyl...)
Show SMILES CC(C)CC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C32H38N2O5/c1-22(2)13-19-27(33-28(31(36)37)20-16-23-9-5-3-6-10-23)30(35)34-29(32(38)39)21-24-14-17-26(18-15-24)25-11-7-4-8-12-25/h3-12,14-15,17-18,22,27-29,33H,13,16,19-21H2,1-2H3,(H,34,35)(H,36,37)(H,38,39)/t27-,28-,29-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase


Bioorg Med Chem Lett 21: 3404-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.109
BindingDB Entry DOI: 10.7270/Q2PG1S2F
More data for this
Ligand-Target Pair
Atrial natriuretic factor


(Homo sapiens)
BDBM50344197
PNG
((S)-2-(1-((S)-1-carboxy-2-(3-phenyl-1,2,4-oxadiazo...)
Show SMILES COCC[C@H](NC1(CCCC1)C(=O)N[C@@H](Cc1nc(no1)-c1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C22H28N4O7/c1-32-12-9-15(19(27)28)25-22(10-5-6-11-22)21(31)23-16(20(29)30)13-17-24-18(26-33-17)14-7-3-2-4-8-14/h2-4,7-8,15-16,25H,5-6,9-13H2,1H3,(H,23,31)(H,27,28)(H,29,30)/t15-,16-/m0/s1
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n/an/a 58n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of atrial natriuretic peptide


Bioorg Med Chem Lett 21: 3404-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.109
BindingDB Entry DOI: 10.7270/Q2PG1S2F
More data for this
Ligand-Target Pair
Atrial natriuretic factor


(Homo sapiens)
BDBM50344189
PNG
((S)-2-(1-((S)-1-carboxy-2-(4-isobutyloxazol-2-yl)e...)
Show SMILES CCC[C@H](NC1(CCCC1)C(=O)N[C@@H](Cc1nc(CC(C)C)co1)C(O)=O)C(O)=O
Show InChI InChI=1S/C21H33N3O6/c1-4-7-15(18(25)26)24-21(8-5-6-9-21)20(29)23-16(19(27)28)11-17-22-14(12-30-17)10-13(2)3/h12-13,15-16,24H,4-11H2,1-3H3,(H,23,29)(H,25,26)(H,27,28)/t15-,16-/m0/s1
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n/an/a 75n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of atrial natriuretic peptide


Bioorg Med Chem Lett 21: 3404-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.109
BindingDB Entry DOI: 10.7270/Q2PG1S2F
More data for this
Ligand-Target Pair
Atrial natriuretic factor


(Homo sapiens)
BDBM50344191
PNG
((S)-2-(1-((S)-1-carboxy-2-(5-phenyloxazol-2-yl)eth...)
Show SMILES CCC[C@H](NC1(CCCC1)C(=O)N[C@@H](Cc1ncc(o1)-c1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C23H29N3O6/c1-2-8-16(20(27)28)26-23(11-6-7-12-23)22(31)25-17(21(29)30)13-19-24-14-18(32-19)15-9-4-3-5-10-15/h3-5,9-10,14,16-17,26H,2,6-8,11-13H2,1H3,(H,25,31)(H,27,28)(H,29,30)/t16-,17-/m0/s1
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n/an/a 82n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of atrial natriuretic peptide


Bioorg Med Chem Lett 21: 3404-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.109
BindingDB Entry DOI: 10.7270/Q2PG1S2F
More data for this
Ligand-Target Pair
Atrial natriuretic factor


(Homo sapiens)
BDBM50344188
PNG
((S)-2-(1-((S)-1-carboxy-2-(4-ethyloxazol-2-yl)ethy...)
Show SMILES CCC[C@H](NC1(CCCC1)C(=O)N[C@@H](Cc1nc(CC)co1)C(O)=O)C(O)=O
Show InChI InChI=1S/C19H29N3O6/c1-3-7-13(16(23)24)22-19(8-5-6-9-19)18(27)21-14(17(25)26)10-15-20-12(4-2)11-28-15/h11,13-14,22H,3-10H2,1-2H3,(H,21,27)(H,23,24)(H,25,26)/t13-,14-/m0/s1
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n/an/a 130n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of atrial natriuretic peptide


Bioorg Med Chem Lett 21: 3404-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.109
BindingDB Entry DOI: 10.7270/Q2PG1S2F
More data for this
Ligand-Target Pair
Atrial natriuretic factor


(Homo sapiens)
BDBM50344192
PNG
((S)-2-(1-((S)-1-carboxy-2-(4-phenyloxazol-2-yl)eth...)
Show SMILES COCC[C@H](NC1(CCCC1)C(=O)N[C@@H](Cc1nc(co1)-c1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C23H29N3O7/c1-32-12-9-16(20(27)28)26-23(10-5-6-11-23)22(31)25-17(21(29)30)13-19-24-18(14-33-19)15-7-3-2-4-8-15/h2-4,7-8,14,16-17,26H,5-6,9-13H2,1H3,(H,25,31)(H,27,28)(H,29,30)/t16-,17-/m0/s1
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n/an/a 130n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of atrial natriuretic peptide


Bioorg Med Chem Lett 21: 3404-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.109
BindingDB Entry DOI: 10.7270/Q2PG1S2F
More data for this
Ligand-Target Pair
Atrial natriuretic factor


(Homo sapiens)
BDBM50344195
PNG
((S)-2-(1-((S)-1-carboxy-2-(5-(4-chlorophenyl)oxazo...)
Show SMILES COCC[C@H](NC1(CCCC1)C(=O)N[C@@H](Cc1ncc(o1)-c1ccc(Cl)cc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C23H28ClN3O7/c1-33-11-8-16(20(28)29)27-23(9-2-3-10-23)22(32)26-17(21(30)31)12-19-25-13-18(34-19)14-4-6-15(24)7-5-14/h4-7,13,16-17,27H,2-3,8-12H2,1H3,(H,26,32)(H,28,29)(H,30,31)/t16-,17-/m0/s1
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n/an/a 195n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of atrial natriuretic peptide


Bioorg Med Chem Lett 21: 3404-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.109
BindingDB Entry DOI: 10.7270/Q2PG1S2F
More data for this
Ligand-Target Pair
Atrial natriuretic factor


(Homo sapiens)
BDBM50344194
PNG
((S)-2-(1-((S)-1-carboxy-2-(4-methyl-5-phenyloxazol...)
Show SMILES COCC[C@H](NC1(CCCC1)C(=O)N[C@@H](Cc1nc(C)c(o1)-c1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C24H31N3O7/c1-15-20(16-8-4-3-5-9-16)34-19(25-15)14-18(22(30)31)26-23(32)24(11-6-7-12-24)27-17(21(28)29)10-13-33-2/h3-5,8-9,17-18,27H,6-7,10-14H2,1-2H3,(H,26,32)(H,28,29)(H,30,31)/t17-,18-/m0/s1
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n/an/a 210n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of atrial natriuretic peptide


Bioorg Med Chem Lett 21: 3404-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.109
BindingDB Entry DOI: 10.7270/Q2PG1S2F
More data for this
Ligand-Target Pair
Atrial natriuretic factor


(Homo sapiens)
BDBM50344193
PNG
((S)-2-(1-((S)-1-carboxy-2-(5-phenyloxazol-2-yl)eth...)
Show SMILES COCC[C@H](NC1(CCCC1)C(=O)N[C@@H](Cc1ncc(o1)-c1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C23H29N3O7/c1-32-12-9-16(20(27)28)26-23(10-5-6-11-23)22(31)25-17(21(29)30)13-19-24-14-18(33-19)15-7-3-2-4-8-15/h2-4,7-8,14,16-17,26H,5-6,9-13H2,1H3,(H,25,31)(H,27,28)(H,29,30)/t16-,17-/m0/s1
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n/an/a 270n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of atrial natriuretic peptide


Bioorg Med Chem Lett 21: 3404-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.109
BindingDB Entry DOI: 10.7270/Q2PG1S2F
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50085452
PNG
((S)-2-[((S)-6-Amino-2-methanesulfonylamino-hexanoy...)
Show SMILES CS(=O)(=O)N[C@@H](CCCCN)C(=O)NC[C@H](CC1(CCCC1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C26H40N4O9S/c1-40(38,39)30-20(6-2-5-13-27)22(32)28-16-18(23(33)34)15-26(11-3-4-12-26)25(37)29-21(24(35)36)14-17-7-9-19(31)10-8-17/h7-10,18,20-21,30-31H,2-6,11-16,27H2,1H3,(H,28,32)(H,29,37)(H,33,34)(H,35,36)/t18-,20-,21-/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of phosphoramidon-sensitive membrane bound zinc metalloprotease Endothelin-converting enzyme from partially purified guinea pig l...


Bioorg Med Chem Lett 6: 1629-1634 (1996)


Article DOI: 10.1016/0960-894X(96)00297-1
BindingDB Entry DOI: 10.7270/Q2697437
More data for this
Ligand-Target Pair
Atrial natriuretic factor


(Homo sapiens)
BDBM50344196
PNG
((S)-2-(1-((S)-1-carboxy-2-(5-phenyl-1,3,4-oxadiazo...)
Show SMILES COCC[C@H](NC1(CCCC1)C(=O)N[C@@H](Cc1nnc(o1)-c1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C22H28N4O7/c1-32-12-9-15(19(27)28)24-22(10-5-6-11-22)21(31)23-16(20(29)30)13-17-25-26-18(33-17)14-7-3-2-4-8-14/h2-4,7-8,15-16,24H,5-6,9-13H2,1H3,(H,23,31)(H,27,28)(H,29,30)/t15-,16-/m0/s1
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n/an/a>3.00E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of atrial natriuretic peptide


Bioorg Med Chem Lett 21: 3404-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.109
BindingDB Entry DOI: 10.7270/Q2PG1S2F
More data for this
Ligand-Target Pair