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PubMed code 11384231

Compile data set for download or QSAR
Found 26 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
Peptide deformylase


(Escherichia coli (strain K12))		BDBM50100105
PNG
(2-(5-Bromo-2-oxo-1,4-dihydro-2H-quinazolin-3-yl)-N...)
Show SMILES ONC(=O)CN1Cc2c(Br)cccc2NC1=O
Show InChI InChI=1S/C10H10BrN3O3/c11-7-2-1-3-8-6(7)4-14(10(16)12-8)5-9(15)13-17/h1-3,17H,4-5H2,(H,12,16)(H,13,15)
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n/an/a 49n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the isolated native E. coli peptide deformylase (PDF)

J Med Chem 44: 1847-52 (2001)


BindingDB Entry DOI: 10.7270/Q2ZW1K6C
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli (strain K12))		BDBM50100101
PNG
(2-(5-Bromo-1-cyclopropylmethyl-2,2-dioxo-1,4-dihyd...)
Show SMILES ONC(=O)CN1Cc2c(Br)cccc2N(CC2CC2)S1(=O)=O
Show InChI InChI=1S/C13H16BrN3O4S/c14-11-2-1-3-12-10(11)7-16(8-13(18)15-19)22(20,21)17(12)6-9-4-5-9/h1-3,9,19H,4-8H2,(H,15,18)
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n/an/a 69n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the isolated native E. coli peptide deformylase (PDF)

J Med Chem 44: 1847-52 (2001)


BindingDB Entry DOI: 10.7270/Q2ZW1K6C
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli (strain K12))		BDBM50100094
PNG
(2-(5-Bromo-2,2-dioxo-1,4-dihydro-2H-2lambda*6*-ben...)
Show SMILES ONC(=O)CN1Cc2c(Br)cccc2NS1(=O)=O
Show InChI InChI=1S/C9H10BrN3O4S/c10-7-2-1-3-8-6(7)4-13(5-9(14)11-15)18(16,17)12-8/h1-3,12,15H,4-5H2,(H,11,14)
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n/an/a 98n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the isolated native E. coli peptide deformylase (PDF)

J Med Chem 44: 1847-52 (2001)


BindingDB Entry DOI: 10.7270/Q2ZW1K6C
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli (strain K12))		BDBM50100102
PNG
(2-(5-Chloro-1-cyclopropylmethyl-2,2-dioxo-1,4-dihy...)
Show SMILES ONC(=O)CN1Cc2c(Cl)cccc2N(CC2CC2)S1(=O)=O
Show InChI InChI=1S/C13H16ClN3O4S/c14-11-2-1-3-12-10(11)7-16(8-13(18)15-19)22(20,21)17(12)6-9-4-5-9/h1-3,9,19H,4-8H2,(H,15,18)
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n/an/a 110n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the isolated native E. coli peptide deformylase (PDF)

J Med Chem 44: 1847-52 (2001)


BindingDB Entry DOI: 10.7270/Q2ZW1K6C
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli (strain K12))		BDBM50100097
PNG
(2-(5-Chloro-2,2-dioxo-1,4-dihydro-2H-2lambda*6*-be...)
Show SMILES ONC(=O)CN1Cc2c(Cl)cccc2NS1(=O)=O
Show InChI InChI=1S/C9H10ClN3O4S/c10-7-2-1-3-8-6(7)4-13(5-9(14)11-15)18(16,17)12-8/h1-3,12,15H,4-5H2,(H,11,14)
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n/an/a 120n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the isolated native E. coli peptide deformylase (PDF)

J Med Chem 44: 1847-52 (2001)


BindingDB Entry DOI: 10.7270/Q2ZW1K6C
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli (strain K12))		BDBM50100096
PNG
(2-(2,2-Dioxo-5-trifluoromethyl-1,4-dihydro-2H-2lam...)
Show SMILES ONC(=O)CN1Cc2c(NS1(=O)=O)cccc2C(F)(F)F
Show InChI InChI=1S/C10H10F3N3O4S/c11-10(12,13)7-2-1-3-8-6(7)4-16(5-9(17)14-18)21(19,20)15-8/h1-3,15,18H,4-5H2,(H,14,17)
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n/an/a 130n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the isolated native E. coli peptide deformylase (PDF)

J Med Chem 44: 1847-52 (2001)


BindingDB Entry DOI: 10.7270/Q2ZW1K6C
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli (strain K12))		BDBM50100107
PNG
(CHEMBL53345 | N-Hydroxy-2-(2-oxo-5-trifluoromethyl...)
Show SMILES ONC(=O)CN1Cc2c(NC1=O)cccc2C(F)(F)F
Show InChI InChI=1S/C11H10F3N3O3/c12-11(13,14)7-2-1-3-8-6(7)4-17(10(19)15-8)5-9(18)16-20/h1-3,20H,4-5H2,(H,15,19)(H,16,18)
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n/an/a 230n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the isolated native E. coli peptide deformylase (PDF)

J Med Chem 44: 1847-52 (2001)


BindingDB Entry DOI: 10.7270/Q2ZW1K6C
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli (strain K12))		BDBM50100108
PNG
(2-[5-Chloro-2,2-dioxo-1-(3-phenyl-propyl)-1,4-dihy...)
Show SMILES ONC(=O)CN1Cc2c(Cl)cccc2N(CCCc2ccccc2)S1(=O)=O
Show InChI InChI=1S/C18H20ClN3O4S/c19-16-9-4-10-17-15(16)12-21(13-18(23)20-24)27(25,26)22(17)11-5-8-14-6-2-1-3-7-14/h1-4,6-7,9-10,24H,5,8,11-13H2,(H,20,23)
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n/an/a 290n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the isolated native E. coli peptide deformylase (PDF)

J Med Chem 44: 1847-52 (2001)


BindingDB Entry DOI: 10.7270/Q2ZW1K6C
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli (strain K12))		BDBM50100095
PNG
(2-(5-Chloro-2-oxo-1,4-dihydro-2H-quinazolin-3-yl)-...)
Show SMILES ONC(=O)CN1Cc2c(Cl)cccc2NC1=O
Show InChI InChI=1S/C10H10ClN3O3/c11-7-2-1-3-8-6(7)4-14(10(16)12-8)5-9(15)13-17/h1-3,17H,4-5H2,(H,12,16)(H,13,15)
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n/an/a 310n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the isolated native E. coli peptide deformylase (PDF)

J Med Chem 44: 1847-52 (2001)


BindingDB Entry DOI: 10.7270/Q2ZW1K6C
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50100095
PNG
(2-(5-Chloro-2-oxo-1,4-dihydro-2H-quinazolin-3-yl)-...)
Show SMILES ONC(=O)CN1Cc2c(Cl)cccc2NC1=O
Show InChI InChI=1S/C10H10ClN3O3/c11-7-2-1-3-8-6(7)4-14(10(16)12-8)5-9(15)13-17/h1-3,17H,4-5H2,(H,12,16)(H,13,15)
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n/an/a 460n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Collagenase-3, matrix metalloptroteinase-13 (MMP-13).

J Med Chem 44: 1847-52 (2001)


BindingDB Entry DOI: 10.7270/Q2ZW1K6C
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50100097
PNG
(2-(5-Chloro-2,2-dioxo-1,4-dihydro-2H-2lambda*6*-be...)
Show SMILES ONC(=O)CN1Cc2c(Cl)cccc2NS1(=O)=O
Show InChI InChI=1S/C9H10ClN3O4S/c10-7-2-1-3-8-6(7)4-13(5-9(14)11-15)18(16,17)12-8/h1-3,12,15H,4-5H2,(H,11,14)
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n/an/a 500n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Collagenase-3, matrix metalloptroteinase-13 (MMP-13).

J Med Chem 44: 1847-52 (2001)


BindingDB Entry DOI: 10.7270/Q2ZW1K6C
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli (strain K12))		BDBM50100100
PNG
(2-(1-Butyl-5-chloro-2,2-dioxo-1,4-dihydro-2H-2lamb...)
Show SMILES CCCCN1c2cccc(Cl)c2CN(CC(=O)NO)S1(=O)=O
Show InChI InChI=1S/C13H18ClN3O4S/c1-2-3-7-17-12-6-4-5-11(14)10(12)8-16(22(17,20)21)9-13(18)15-19/h4-6,19H,2-3,7-9H2,1H3,(H,15,18)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the isolated native E. coli peptide deformylase (PDF)

J Med Chem 44: 1847-52 (2001)


BindingDB Entry DOI: 10.7270/Q2ZW1K6C
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli (strain K12))		BDBM50100104
PNG
(2-(2,2-Dioxo-1,4-dihydro-2H-2lambda*6*-benzo[1,2,6...)
Show SMILES ONC(=O)CN1Cc2ccccc2NS1(=O)=O
Show InChI InChI=1S/C9H11N3O4S/c13-9(10-14)6-12-5-7-3-1-2-4-8(7)11-17(12,15)16/h1-4,11,14H,5-6H2,(H,10,13)
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n/an/a 760n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the isolated native E. coli peptide deformylase (PDF)

J Med Chem 44: 1847-52 (2001)


BindingDB Entry DOI: 10.7270/Q2ZW1K6C
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli (strain K12))		BDBM50100103
PNG
(2-(5-Fluoro-2,2-dioxo-1,4-dihydro-2H-2lambda*6*-be...)
Show SMILES ONC(=O)CN1Cc2c(F)cccc2NS1(=O)=O
Show InChI InChI=1S/C9H10FN3O4S/c10-7-2-1-3-8-6(7)4-13(5-9(14)11-15)18(16,17)12-8/h1-3,12,15H,4-5H2,(H,11,14)
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n/an/a 870n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the isolated native E. coli peptide deformylase (PDF)

J Med Chem 44: 1847-52 (2001)


BindingDB Entry DOI: 10.7270/Q2ZW1K6C
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli (strain K12))		BDBM50100099
PNG
(2-(5-Fluoro-2-oxo-1,4-dihydro-2H-quinazolin-3-yl)-...)
Show SMILES ONC(=O)CN1Cc2c(F)cccc2NC1=O
Show InChI InChI=1S/C10H10FN3O3/c11-7-2-1-3-8-6(7)4-14(10(16)12-8)5-9(15)13-17/h1-3,17H,4-5H2,(H,12,16)(H,13,15)
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n/an/a 870n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the isolated native E. coli peptide deformylase (PDF)

J Med Chem 44: 1847-52 (2001)


BindingDB Entry DOI: 10.7270/Q2ZW1K6C
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli (strain K12))		BDBM50100098
PNG
(CHEMBL54689 | N-Hydroxy-2-(2-oxo-1,4-dihydro-2H-qu...)
Show SMILES ONC(=O)CN1Cc2ccccc2NC1=O
Show InChI InChI=1S/C10H11N3O3/c14-9(12-16)6-13-5-7-3-1-2-4-8(7)11-10(13)15/h1-4,16H,5-6H2,(H,11,15)(H,12,14)
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n/an/a 1.90E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the isolated native E. coli peptide deformylase (PDF)

J Med Chem 44: 1847-52 (2001)


BindingDB Entry DOI: 10.7270/Q2ZW1K6C
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli (strain K12))		BDBM50100106
PNG
(2-(1-Benzyl-5-chloro-2,2-dioxo-1,4-dihydro-2H-2lam...)
Show SMILES ONC(=O)CN1Cc2c(Cl)cccc2N(Cc2ccccc2)S1(=O)=O
Show InChI InChI=1S/C16H16ClN3O4S/c17-14-7-4-8-15-13(14)10-19(11-16(21)18-22)25(23,24)20(15)9-12-5-2-1-3-6-12/h1-8,22H,9-11H2,(H,18,21)
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n/an/a 2.00E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the isolated native E. coli peptide deformylase (PDF)

J Med Chem 44: 1847-52 (2001)


BindingDB Entry DOI: 10.7270/Q2ZW1K6C
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50100097
PNG
(2-(5-Chloro-2,2-dioxo-1,4-dihydro-2H-2lambda*6*-be...)
Show SMILES ONC(=O)CN1Cc2c(Cl)cccc2NS1(=O)=O
Show InChI InChI=1S/C9H10ClN3O4S/c10-7-2-1-3-8-6(7)4-13(5-9(14)11-15)18(16,17)12-8/h1-3,12,15H,4-5H2,(H,11,14)
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n/an/a>1.00E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition against endothelin-converting enzyme.

J Med Chem 44: 1847-52 (2001)


BindingDB Entry DOI: 10.7270/Q2ZW1K6C
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50100095
PNG
(2-(5-Chloro-2-oxo-1,4-dihydro-2H-quinazolin-3-yl)-...)
Show SMILES ONC(=O)CN1Cc2c(Cl)cccc2NC1=O
Show InChI InChI=1S/C10H10ClN3O3/c11-7-2-1-3-8-6(7)4-14(10(16)12-8)5-9(15)13-17/h1-3,17H,4-5H2,(H,12,16)(H,13,15)
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n/an/a>1.00E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition against endothelin-converting enzyme.

J Med Chem 44: 1847-52 (2001)


BindingDB Entry DOI: 10.7270/Q2ZW1K6C
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli (strain K12))		BDBM50100093
PNG
((5-Chloro-2-oxo-1,4-dihydro-2H-quinazolin-3-yl)-ac...)
Show SMILES NNC(=O)CN1Cc2c(Cl)cccc2NC1=O
Show InChI InChI=1S/C10H11ClN4O2/c11-7-2-1-3-8-6(7)4-15(10(17)13-8)5-9(16)14-12/h1-3H,4-5,12H2,(H,13,17)(H,14,16)
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n/an/a 2.70E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the isolated native E. coli peptide deformylase (PDF)

J Med Chem 44: 1847-52 (2001)


BindingDB Entry DOI: 10.7270/Q2ZW1K6C
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))		BDBM50100095
PNG
(2-(5-Chloro-2-oxo-1,4-dihydro-2H-quinazolin-3-yl)-...)
Show SMILES ONC(=O)CN1Cc2c(Cl)cccc2NC1=O
Show InChI InChI=1S/C10H10ClN3O3/c11-7-2-1-3-8-6(7)4-14(10(16)12-8)5-9(15)13-17/h1-3,17H,4-5H2,(H,12,16)(H,13,15)
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n/an/a 9.00E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition against angiotensin I converting enzyme

J Med Chem 44: 1847-52 (2001)


BindingDB Entry DOI: 10.7270/Q2ZW1K6C
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))		BDBM50100097
PNG
(2-(5-Chloro-2,2-dioxo-1,4-dihydro-2H-2lambda*6*-be...)
Show SMILES ONC(=O)CN1Cc2c(Cl)cccc2NS1(=O)=O
Show InChI InChI=1S/C9H10ClN3O4S/c10-7-2-1-3-8-6(7)4-13(5-9(14)11-15)18(16,17)12-8/h1-3,12,15H,4-5H2,(H,11,14)
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n/an/a>1.00E+5n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition against angiotensin I converting enzyme

J Med Chem 44: 1847-52 (2001)


BindingDB Entry DOI: 10.7270/Q2ZW1K6C
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM50100097
PNG
(2-(5-Chloro-2,2-dioxo-1,4-dihydro-2H-2lambda*6*-be...)
Show SMILES ONC(=O)CN1Cc2c(Cl)cccc2NS1(=O)=O
Show InChI InChI=1S/C9H10ClN3O4S/c10-7-2-1-3-8-6(7)4-13(5-9(14)11-15)18(16,17)12-8/h1-3,12,15H,4-5H2,(H,11,14)
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n/an/a>1.00E+5n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human macrophage elastase, matrix metalloproteinase-12 (MMP-12).

J Med Chem 44: 1847-52 (2001)


BindingDB Entry DOI: 10.7270/Q2ZW1K6C
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))		BDBM50100095
PNG
(2-(5-Chloro-2-oxo-1,4-dihydro-2H-quinazolin-3-yl)-...)
Show SMILES ONC(=O)CN1Cc2c(Cl)cccc2NC1=O
Show InChI InChI=1S/C10H10ClN3O3/c11-7-2-1-3-8-6(7)4-14(10(16)12-8)5-9(15)13-17/h1-3,17H,4-5H2,(H,12,16)(H,13,15)
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n/an/a>1.00E+5n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition against neutral endopeptidase

J Med Chem 44: 1847-52 (2001)


BindingDB Entry DOI: 10.7270/Q2ZW1K6C
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM50100095
PNG
(2-(5-Chloro-2-oxo-1,4-dihydro-2H-quinazolin-3-yl)-...)
Show SMILES ONC(=O)CN1Cc2c(Cl)cccc2NC1=O
Show InChI InChI=1S/C10H10ClN3O3/c11-7-2-1-3-8-6(7)4-14(10(16)12-8)5-9(15)13-17/h1-3,17H,4-5H2,(H,12,16)(H,13,15)
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n/an/a>1.00E+5n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human macrophage elastase, matrix metalloproteinase-12 (MMP-12).

J Med Chem 44: 1847-52 (2001)


BindingDB Entry DOI: 10.7270/Q2ZW1K6C
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))		BDBM50100097
PNG
(2-(5-Chloro-2,2-dioxo-1,4-dihydro-2H-2lambda*6*-be...)
Show SMILES ONC(=O)CN1Cc2c(Cl)cccc2NS1(=O)=O
Show InChI InChI=1S/C9H10ClN3O4S/c10-7-2-1-3-8-6(7)4-13(5-9(14)11-15)18(16,17)12-8/h1-3,12,15H,4-5H2,(H,11,14)
PDB

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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition against neutral endopeptidase

J Med Chem 44: 1847-52 (2001)


BindingDB Entry DOI: 10.7270/Q2ZW1K6C
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%