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Articleid 50029379

Compile data set for download or QSAR
Found 6 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
Neprilysin


(Rattus norvegicus (Rat))		BDBM50034851
PNG
(3-[(S)-3-Biphenyl-4-yl-2-(phosphonomethyl-amino)-p...)
Show SMILES OC(=O)CCNC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NCP(O)(O)=O
Show InChI InChI=1S/C19H23N2O6P/c22-18(23)10-11-20-19(24)17(21-13-28(25,26)27)12-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,17,21H,10-13H2,(H,20,24)(H,22,23)(H2,25,26,27)/t17-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against neutral endopeptidase (NEP 24.11) from rat kidney cortex membranes

Bioorg Med Chem Lett 4: 539-542 (1994)


Article DOI: 10.1016/S0960-894X(01)80150-5
BindingDB Entry DOI: 10.7270/Q2736QV0
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))		BDBM21641
PNG
(2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...)
Show SMILES OC(=O)CNC(=O)C(CS)Cc1ccccc1
Show InChI InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)
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n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against neutral endopeptidase (NEP 24.11) from rat kidney cortex membranes

Bioorg Med Chem Lett 4: 539-542 (1994)


Article DOI: 10.1016/S0960-894X(01)80150-5
BindingDB Entry DOI: 10.7270/Q2736QV0
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Neprilysin


(Rattus norvegicus (Rat))		BDBM50283970
PNG
(3-(3-Biphenyl-4-yl-2-phosphonomethoxy-propionylami...)
Show SMILES OC(=O)CCNC(=O)C(Cc1ccc(cc1)-c1ccccc1)OCP(O)(O)=O
Show InChI InChI=1S/C19H22NO7P/c21-18(22)10-11-20-19(23)17(27-13-28(24,25)26)12-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,17H,10-13H2,(H,20,23)(H,21,22)(H2,24,25,26)
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n/an/a 9.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against neutral endopeptidase (NEP 24.11) from rat kidney cortex membranes

Bioorg Med Chem Lett 4: 539-542 (1994)


Article DOI: 10.1016/S0960-894X(01)80150-5
BindingDB Entry DOI: 10.7270/Q2736QV0
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))		BDBM50283968
PNG
(3-(3-Biphenyl-4-yl-2-phosphonomethylsulfanyl-propi...)
Show SMILES OC(=O)CCNC(=O)C(Cc1ccc(cc1)-c1ccccc1)SCP(O)(O)=O
Show InChI InChI=1S/C19H22NO6PS/c21-18(22)10-11-20-19(23)17(28-13-27(24,25)26)12-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,17H,10-13H2,(H,20,23)(H,21,22)(H2,24,25,26)
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n/an/a 797n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against neutral endopeptidase (NEP 24.11) from rat kidney cortex membranes

Bioorg Med Chem Lett 4: 539-542 (1994)


Article DOI: 10.1016/S0960-894X(01)80150-5
BindingDB Entry DOI: 10.7270/Q2736QV0
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))		BDBM50283969
PNG
(3-(2-Biphenyl-4-ylmethyl-4-phosphono-butyrylamino)...)
Show SMILES OC(=O)CCNC(=O)C(CCP(O)(O)=O)Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H24NO6P/c22-19(23)10-12-21-20(24)18(11-13-28(25,26)27)14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-9,18H,10-14H2,(H,21,24)(H,22,23)(H2,25,26,27)
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n/an/a 1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against neutral endopeptidase (NEP 24.11) from rat kidney cortex membranes

Bioorg Med Chem Lett 4: 539-542 (1994)


Article DOI: 10.1016/S0960-894X(01)80150-5
BindingDB Entry DOI: 10.7270/Q2736QV0
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))		BDBM50283967
PNG
(3-(3-Biphenyl-4-yl-2-phosphonomethanesulfonyl-prop...)
Show SMILES OC(=O)CCNC(=O)C(Cc1ccc(cc1)-c1ccccc1)S(=O)(=O)CP(O)(O)=O
Show InChI InChI=1S/C19H22NO8PS/c21-18(22)10-11-20-19(23)17(30(27,28)13-29(24,25)26)12-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,17H,10-13H2,(H,20,23)(H,21,22)(H2,24,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against neutral endopeptidase (NEP 24.11) from rat kidney cortex membranes

Bioorg Med Chem Lett 4: 539-542 (1994)


Article DOI: 10.1016/S0960-894X(01)80150-5
BindingDB Entry DOI: 10.7270/Q2736QV0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%