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PubMed code 8421284

Compile data set for download or QSAR
Found 7 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))
BDBM50046132
PNG
(2-[propyl-hydroxy-phosphorylamino)-4-methyl-pentan...)
Show SMILES CCCP([O-])(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C20H30N3O5P/c1-4-9-29(27,28)23-17(10-13(2)3)19(24)22-18(20(25)26)11-14-12-21-16-8-6-5-7-15(14)16/h5-8,12-13,17-18,21H,4,9-11H2,1-3H3,(H,22,24)(H,25,26)(H2,23,27,28)/p-1/t17-,18-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Monsanto Corp

Curated by ChEMBL


Assay Description
Inhibition of endothelin converting enzyme in an RIA assay using ET-1 as substrate


J Med Chem 36: 173-6 (1993)


Article DOI: 10.1021/jm00053a023
BindingDB Entry DOI: 10.7270/Q22V2GR8
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50251742
PNG
((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...)
Show SMILES CC(C)C[C@H](NP(O)(=O)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/t12-,16-,17-,18-,19+,20+,23-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Monsanto Corp

Curated by ChEMBL


Assay Description
Inhibition of endothelin converting enzyme in an RIA assay using ET-1 as substrate (value corresponds to <25% inhibition when assayed at a 100 uM scr...


J Med Chem 36: 173-6 (1993)


Article DOI: 10.1021/jm00053a023
BindingDB Entry DOI: 10.7270/Q22V2GR8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50046138
PNG
(2-[2-(Cyclohexylmethyl-hydroxy-phosphorylamino)-4-...)
Show SMILES CC(C)C[C@H](NP([O-])(=O)CC1CCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C24H36N3O5P/c1-16(2)12-21(27-33(31,32)15-17-8-4-3-5-9-17)23(28)26-22(24(29)30)13-18-14-25-20-11-7-6-10-19(18)20/h6-7,10-11,14,16-17,21-22,25H,3-5,8-9,12-13,15H2,1-2H3,(H,26,28)(H,29,30)(H2,27,31,32)/p-1/t21-,22-/m0/s1
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n/an/a 4.80E+3n/an/an/an/an/an/a



Monsanto Corp

Curated by ChEMBL


Assay Description
Inhibition of endothelin converting enzyme in an RIA assay using ET-1 as substrate


J Med Chem 36: 173-6 (1993)


Article DOI: 10.1021/jm00053a023
BindingDB Entry DOI: 10.7270/Q22V2GR8
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50046137
PNG
(2-[2-(Hydroxy-phenoxy-phosphorylamino)-4-methyl-pe...)
Show SMILES CC(C)C[C@H](NP([O-])(=O)Oc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C23H28N3O6P/c1-15(2)12-20(26-33(30,31)32-17-8-4-3-5-9-17)22(27)25-21(23(28)29)13-16-14-24-19-11-7-6-10-18(16)19/h3-11,14-15,20-21,24H,12-13H2,1-2H3,(H,25,27)(H,28,29)(H2,26,30,31)/p-1/t20-,21-/m0/s1
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n/an/a 3.70E+4n/an/an/an/an/an/a



Monsanto Corp

Curated by ChEMBL


Assay Description
Inhibition of endothelin converting enzyme in an RIA assay using ET-1 as substrate


J Med Chem 36: 173-6 (1993)


Article DOI: 10.1021/jm00053a023
BindingDB Entry DOI: 10.7270/Q22V2GR8
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50046134
PNG
(2-[2-(Cyclohexyloxy-hydroxy-phosphorylamino)-4-met...)
Show SMILES CC(C)C[C@H](NP([O-])(=O)OC1CCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C23H34N3O6P/c1-15(2)12-20(26-33(30,31)32-17-8-4-3-5-9-17)22(27)25-21(23(28)29)13-16-14-24-19-11-7-6-10-18(16)19/h6-7,10-11,14-15,17,20-21,24H,3-5,8-9,12-13H2,1-2H3,(H,25,27)(H,28,29)(H2,26,30,31)/p-1/t20-,21-/m0/s1
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n/an/a 4.80E+4n/an/an/an/an/an/a



Monsanto Corp

Curated by ChEMBL


Assay Description
Inhibition of endothelin converting enzyme in an RIA assay using ET-1 as substrate


J Med Chem 36: 173-6 (1993)


Article DOI: 10.1021/jm00053a023
BindingDB Entry DOI: 10.7270/Q22V2GR8
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50046133
PNG
(2-[2-(Hydroxy-benzyl-phosphorylamino)-4-methyl-pen...)
Show SMILES CC(C)C[C@H](NP([O-])(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C24H30N3O5P/c1-16(2)12-21(27-33(31,32)15-17-8-4-3-5-9-17)23(28)26-22(24(29)30)13-18-14-25-20-11-7-6-10-19(18)20/h3-11,14,16,21-22,25H,12-13,15H2,1-2H3,(H,26,28)(H,29,30)(H2,27,31,32)/p-1/t21-,22-/m0/s1
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n/an/a 6.10E+4n/an/an/an/an/an/a



Monsanto Corp

Curated by ChEMBL


Assay Description
Inhibition of endothelin converting enzyme in an RIA assay using ET-1 as substrate


J Med Chem 36: 173-6 (1993)


Article DOI: 10.1021/jm00053a023
BindingDB Entry DOI: 10.7270/Q22V2GR8
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50046135
PNG
(2-[2-(Ethoxy-hydroxy-phosphorylamino)-4-methyl-pen...)
Show SMILES CCOP([O-])(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C19H28N3O6P/c1-4-28-29(26,27)22-16(9-12(2)3)18(23)21-17(19(24)25)10-13-11-20-15-8-6-5-7-14(13)15/h5-8,11-12,16-17,20H,4,9-10H2,1-3H3,(H,21,23)(H,24,25)(H2,22,26,27)/p-1/t16-,17-/m0/s1
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n/an/a 1.09E+5n/an/an/an/an/an/a



Monsanto Corp

Curated by ChEMBL


Assay Description
Inhibition of endothelin converting enzyme in an RIA assay using ET-1 as substrate


J Med Chem 36: 173-6 (1993)


Article DOI: 10.1021/jm00053a023
BindingDB Entry DOI: 10.7270/Q22V2GR8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%