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Compile Data Set for Download or QSAR

Found 22 hits with Last Name = 'fawzi' and Initial = 'ab'   
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
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50287432
PNG
((S)-2-[(1-{Hydroxy-[(R)-1-(4-nitro-benzoylamino)-2...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1(CP(O)(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(cc2)[N+]([O-])=O)CCCC1
Show InChI InChI=1S/C33H35N4O8P/c38-30(23-12-14-25(15-13-23)37(42)43)36-29(18-22-8-2-1-3-9-22)46(44,45)21-33(16-6-7-17-33)32(41)35-28(31(39)40)19-24-20-34-27-11-5-4-10-26(24)27/h1-5,8-15,20,28-29,34H,6-7,16-19,21H2,(H,35,41)(H,36,38)(H,39,40)(H,44,45)/t28-,29+/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was measured for the inhibition of Angiotensin I converting enzyme


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
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50287430
PNG
((S)-2-[(1-{[(R)-1-((S)-6-Amino-2-methanesulfonylam...)
Show SMILES CS(=O)(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)P(O)(=O)CC1(CCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
Show InChI InChI=1S/C33H46N5O8PS/c1-48(45,46)38-27(15-7-10-18-34)30(39)37-29(19-23-11-3-2-4-12-23)47(43,44)22-33(16-8-9-17-33)32(42)36-28(31(40)41)20-24-21-35-26-14-6-5-13-25(24)26/h2-6,11-14,21,27-29,35,38H,7-10,15-20,22,34H2,1H3,(H,36,42)(H,37,39)(H,40,41)(H,43,44)/t27-,28-,29+/m0/s1
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n/an/a 2.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was measured for the inhibition of Angiotensin I converting enzyme


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
Endothelin-converting enzyme 1


(Homo sapiens (Human))
BDBM50287432
PNG
((S)-2-[(1-{Hydroxy-[(R)-1-(4-nitro-benzoylamino)-2...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1(CP(O)(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(cc2)[N+]([O-])=O)CCCC1
Show InChI InChI=1S/C33H35N4O8P/c38-30(23-12-14-25(15-13-23)37(42)43)36-29(18-22-8-2-1-3-9-22)46(44,45)21-33(16-6-7-17-33)32(41)35-28(31(39)40)19-24-20-34-27-11-5-4-10-26(24)27/h1-5,8-15,20,28-29,34H,6-7,16-19,21H2,(H,35,41)(H,36,38)(H,39,40)(H,44,45)/t28-,29+/m0/s1
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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
Neprilysin


(Rattus norvegicus (Rat))
BDBM50287432
PNG
((S)-2-[(1-{Hydroxy-[(R)-1-(4-nitro-benzoylamino)-2...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1(CP(O)(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(cc2)[N+]([O-])=O)CCCC1
Show InChI InChI=1S/C33H35N4O8P/c38-30(23-12-14-25(15-13-23)37(42)43)36-29(18-22-8-2-1-3-9-22)46(44,45)21-33(16-6-7-17-33)32(41)35-28(31(39)40)19-24-20-34-27-11-5-4-10-26(24)27/h1-5,8-15,20,28-29,34H,6-7,16-19,21H2,(H,35,41)(H,36,38)(H,39,40)(H,44,45)/t28-,29+/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Compound was measured for the inhibition of neutral endopeptidase 24.11(NEP).


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
Endothelin-converting enzyme 1


(Homo sapiens (Human))
BDBM50287440
PNG
((S)-2-[(1-{[(R)-1-((S)-6-Benzyloxycarbonylamino-2-...)
Show SMILES CS(=O)(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)P(O)(=O)CC1(CCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C41H52N5O10PS/c1-58(54,55)46-34(20-10-13-23-42-40(51)56-27-30-16-6-3-7-17-30)37(47)45-36(24-29-14-4-2-5-15-29)57(52,53)28-41(21-11-12-22-41)39(50)44-35(38(48)49)25-31-26-43-33-19-9-8-18-32(31)33/h2-9,14-19,26,34-36,43,46H,10-13,20-25,27-28H2,1H3,(H,42,51)(H,44,50)(H,45,47)(H,48,49)(H,52,53)/t34-,35-,36+/m0/s1
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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
Endothelin-converting enzyme 1


(Homo sapiens (Human))
BDBM50287430
PNG
((S)-2-[(1-{[(R)-1-((S)-6-Amino-2-methanesulfonylam...)
Show SMILES CS(=O)(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)P(O)(=O)CC1(CCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
Show InChI InChI=1S/C33H46N5O8PS/c1-48(45,46)38-27(15-7-10-18-34)30(39)37-29(19-23-11-3-2-4-12-23)47(43,44)22-33(16-8-9-17-33)32(42)36-28(31(40)41)20-24-21-35-26-14-6-5-13-25(24)26/h2-6,11-14,21,27-29,35,38H,7-10,15-20,22,34H2,1H3,(H,36,42)(H,37,39)(H,40,41)(H,43,44)/t27-,28-,29+/m0/s1
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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
Neprilysin


(Rattus norvegicus (Rat))
BDBM50287430
PNG
((S)-2-[(1-{[(R)-1-((S)-6-Amino-2-methanesulfonylam...)
Show SMILES CS(=O)(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)P(O)(=O)CC1(CCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
Show InChI InChI=1S/C33H46N5O8PS/c1-48(45,46)38-27(15-7-10-18-34)30(39)37-29(19-23-11-3-2-4-12-23)47(43,44)22-33(16-8-9-17-33)32(42)36-28(31(40)41)20-24-21-35-26-14-6-5-13-25(24)26/h2-6,11-14,21,27-29,35,38H,7-10,15-20,22,34H2,1H3,(H,36,42)(H,37,39)(H,40,41)(H,43,44)/t27-,28-,29+/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Compound was measured for the inhibition of neutral endopeptidase 24.11(NEP).


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
Endothelin-converting enzyme 1


(Homo sapiens (Human))
BDBM50287438
PNG
((S)-2-[(1-{[(R)-1-(4-Aminomethyl-benzoylamino)-2-p...)
Show SMILES NCc1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)P(O)(=O)CC1(CCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C34H39N4O6P/c35-20-24-12-14-25(15-13-24)31(39)38-30(18-23-8-2-1-3-9-23)45(43,44)22-34(16-6-7-17-34)33(42)37-29(32(40)41)19-26-21-36-28-11-5-4-10-27(26)28/h1-5,8-15,21,29-30,36H,6-7,16-20,22,35H2,(H,37,42)(H,38,39)(H,40,41)(H,43,44)/t29-,30+/m0/s1
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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
Endothelin-converting enzyme 1


(Homo sapiens (Human))
BDBM50287431
PNG
((S)-2-({1-[((R)-1-Benzyloxycarbonylamino-2-phenyl-...)
Show SMILES OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C1(CP(O)(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)CCCC1
Show InChI InChI=1S/C32H37N2O8P/c35-26-15-13-24(14-16-26)19-27(29(36)37)33-30(38)32(17-7-8-18-32)22-43(40,41)28(20-23-9-3-1-4-10-23)34-31(39)42-21-25-11-5-2-6-12-25/h1-6,9-16,27-28,35H,7-8,17-22H2,(H,33,38)(H,34,39)(H,36,37)(H,40,41)/t27-,28+/m0/s1
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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
Endothelin-converting enzyme 1


(Homo sapiens (Human))
BDBM50287437
PNG
((S)-2-[(1-{Hydroxy-[(R)-1-(4-methoxy-benzoylamino)...)
Show SMILES COc1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)P(O)(=O)CC1(CCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C34H38N3O7P/c1-44-26-15-13-24(14-16-26)31(38)37-30(19-23-9-3-2-4-10-23)45(42,43)22-34(17-7-8-18-34)33(41)36-29(32(39)40)20-25-21-35-28-12-6-5-11-27(25)28/h2-6,9-16,21,29-30,35H,7-8,17-20,22H2,1H3,(H,36,41)(H,37,38)(H,39,40)(H,42,43)/t29-,30+/m0/s1
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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
Endothelin-converting enzyme 1


(Homo sapiens (Human))
BDBM50287444
PNG
((S)-2-({1-[((R)-1-Benzyloxycarbonylamino-2-phenyl-...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1(CP(O)(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)CCCC1
Show InChI InChI=1S/C34H38N3O7P/c38-31(39)29(20-26-21-35-28-16-8-7-15-27(26)28)36-32(40)34(17-9-10-18-34)23-45(42,43)30(19-24-11-3-1-4-12-24)37-33(41)44-22-25-13-5-2-6-14-25/h1-8,11-16,21,29-30,35H,9-10,17-20,22-23H2,(H,36,40)(H,37,41)(H,38,39)(H,42,43)/t29-,30+/m0/s1
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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
Endothelin-converting enzyme 1


(Homo sapiens (Human))
BDBM50287434
PNG
((S)-2-({1-[((R)-1-Benzoylamino-2-phenyl-ethyl)-hyd...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1(CP(O)(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)CCCC1
Show InChI InChI=1S/C33H36N3O6P/c37-30(24-13-5-2-6-14-24)36-29(19-23-11-3-1-4-12-23)43(41,42)22-33(17-9-10-18-33)32(40)35-28(31(38)39)20-25-21-34-27-16-8-7-15-26(25)27/h1-8,11-16,21,28-29,34H,9-10,17-20,22H2,(H,35,40)(H,36,37)(H,38,39)(H,41,42)/t28-,29+/m0/s1
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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
Endothelin-converting enzyme 1


(Homo sapiens (Human))
BDBM50287445
PNG
((S)-2-({1-[(Benzyloxycarbonylamino-methyl)-hydroxy...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1(CP(O)(=O)CNC(=O)OCc2ccccc2)CCCC1
Show InChI InChI=1S/C27H32N3O7P/c31-24(32)23(14-20-15-28-22-11-5-4-10-21(20)22)30-25(33)27(12-6-7-13-27)17-38(35,36)18-29-26(34)37-16-19-8-2-1-3-9-19/h1-5,8-11,15,23,28H,6-7,12-14,16-18H2,(H,29,34)(H,30,33)(H,31,32)(H,35,36)/t23-/m0/s1
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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
Endothelin-converting enzyme 1


(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 |r|
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 500n/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
3D
3D Structure (crystal)
Endothelin-converting enzyme 1


(Homo sapiens (Human))
BDBM50287442
PNG
((S)-2-[(1-{[(R)-1-(2,2-Dimethyl-propionylamino)-2-...)
Show SMILES CC(C)(C)C(=O)N[C@@H](Cc1ccccc1)P(O)(=O)CC1(CCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C31H40N3O6P/c1-30(2,3)28(37)34-26(17-21-11-5-4-6-12-21)41(39,40)20-31(15-9-10-16-31)29(38)33-25(27(35)36)18-22-19-32-24-14-8-7-13-23(22)24/h4-8,11-14,19,25-26,32H,9-10,15-18,20H2,1-3H3,(H,33,38)(H,34,37)(H,35,36)(H,39,40)/t25-,26+/m0/s1
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n/an/a 550n/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
Endothelin-converting enzyme 1


(Homo sapiens (Human))
BDBM50287439
PNG
((S)-2-({1-[((R)-1-Acetylamino-2-phenyl-ethyl)-hydr...)
Show SMILES CC(=O)N[C@@H](Cc1ccccc1)P(O)(=O)CC1(CCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C28H34N3O6P/c1-19(32)30-25(15-20-9-3-2-4-10-20)38(36,37)18-28(13-7-8-14-28)27(35)31-24(26(33)34)16-21-17-29-23-12-6-5-11-22(21)23/h2-6,9-12,17,24-25,29H,7-8,13-16,18H2,1H3,(H,30,32)(H,31,35)(H,33,34)(H,36,37)/t24-,25+/m0/s1
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n/an/a 600n/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
Endothelin-converting enzyme 1


(Homo sapiens (Human))
BDBM50287443
PNG
((S)-2-({1-[((R)-1-Benzyloxycarbonylamino-2-phenyl-...)
Show SMILES NC(=O)C[C@H](NC(=O)C1(CP(O)(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)CCCC1)C(O)=O
Show InChI InChI=1S/C27H34N3O8P/c28-22(31)16-21(24(32)33)29-25(34)27(13-7-8-14-27)18-39(36,37)23(15-19-9-3-1-4-10-19)30-26(35)38-17-20-11-5-2-6-12-20/h1-6,9-12,21,23H,7-8,13-18H2,(H2,28,31)(H,29,34)(H,30,35)(H,32,33)(H,36,37)/t21-,23+/m0/s1
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n/an/a>1.00E+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
Endothelin-converting enzyme 1


(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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Article
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
Endothelin-converting enzyme 1


(Homo sapiens (Human))
BDBM50287436
PNG
((S)-3-(1H-Indol-3-yl)-2-((S)-4-methyl-2-phosphonoa...)
Show SMILES CC(C)C[C@H](NP(O)(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C17H24N3O6P/c1-10(2)7-14(20-27(24,25)26)16(21)19-15(17(22)23)8-11-9-18-13-6-4-3-5-12(11)13/h3-6,9-10,14-15,18H,7-8H2,1-2H3,(H,19,21)(H,22,23)(H3,20,24,25,26)/t14-,15-/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
Endothelin-converting enzyme 1


(Homo sapiens (Human))
BDBM50287435
PNG
((S)-2-[(1-{[(S)-1-((S)-6-Benzyloxycarbonylamino-2-...)
Show SMILES CS(=O)(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)P(O)(=O)CC1(CCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C41H52N5O10PS/c1-58(54,55)46-34(20-10-13-23-42-40(51)56-27-30-16-6-3-7-17-30)37(47)45-36(24-29-14-4-2-5-15-29)57(52,53)28-41(21-11-12-22-41)39(50)44-35(38(48)49)25-31-26-43-33-19-9-8-18-32(31)33/h2-9,14-19,26,34-36,43,46H,10-13,20-25,27-28H2,1H3,(H,42,51)(H,44,50)(H,45,47)(H,48,49)(H,52,53)/t34-,35-,36-/m0/s1
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n/an/a>1.00E+4n/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
Endothelin-converting enzyme 1


(Homo sapiens (Human))
BDBM50287441
PNG
((S)-2-({1-[((S)-1-Benzyloxycarbonylamino-2-phenyl-...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1(CP(O)(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)CCCC1
Show InChI InChI=1S/C34H38N3O7P/c38-31(39)29(20-26-21-35-28-16-8-7-15-27(26)28)36-32(40)34(17-9-10-18-34)23-45(42,43)30(19-24-11-3-1-4-12-24)37-33(41)44-22-25-13-5-2-6-14-25/h1-8,11-16,21,29-30,35H,9-10,17-20,22-23H2,(H,36,40)(H,37,41)(H,38,39)(H,42,43)/t29-,30-/m0/s1
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n/an/a>1.00E+4n/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
Endothelin-converting enzyme 1


(Homo sapiens (Human))
BDBM50287433
PNG
((S)-2-[(1-{[(S)-1-((S)-6-Amino-2-methanesulfonylam...)
Show SMILES CS(=O)(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)P(O)(=O)CC1(CCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C33H46N5O8PS/c1-48(45,46)38-27(15-7-10-18-34)30(39)37-29(19-23-11-3-2-4-12-23)47(43,44)22-33(16-8-9-17-33)32(42)36-28(31(40)41)20-24-21-35-26-14-6-5-13-25(24)26/h2-6,11-14,21,27-29,35,38H,7-10,15-20,22,34H2,1H3,(H,36,42)(H,37,39)(H,40,41)(H,43,44)/t27-,28-,29-/m0/s1
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n/an/a>1.00E+4n/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