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Compile Data Set for Download or QSAR

Found 81 hits with Last Name = 'marcopoulos' and Initial = 'n'   
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))		BDBM50064106
PNG
(CGS-26303 | CHEMBL290698 | {[(R)-2-Biphenyl-4-yl-1...)
Show SMILES OP(O)(=O)CN[C@@H](Cc1ccc(cc1)-c1ccccc1)c1nnn[nH]1
Show InChI InChI=1S/C16H18N5O3P/c22-25(23,24)11-17-15(16-18-20-21-19-16)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,15,17H,10-11H2,(H2,22,23,24)(H,18,19,20,21)/t15-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neutral endopeptidase

J Med Chem 43: 488-504 (2000)


BindingDB Entry DOI: 10.7270/Q21G0MZR
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50084905
PNG
(CHEMBL147964 | {1-[2-Dibenzofuran-3-yl-1-(1H-tetra...)
Show SMILES OP(O)(=O)C(CCc1cccc2ccccc12)N[C@@H](Cc1ccc2c(c1)oc1ccccc21)c1nnn[nH]1
Show InChI InChI=1S/C28H26N5O4P/c34-38(35,36)27(15-13-20-8-5-7-19-6-1-2-9-21(19)20)29-24(28-30-32-33-31-28)16-18-12-14-23-22-10-3-4-11-25(22)37-26(23)17-18/h1-12,14,17,24,27,29H,13,15-16H2,(H2,34,35,36)(H,30,31,32,33)/t24-,27?/m0/s1
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n/an/a 2.60n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In Vitro inhibition of recombinant human endothelin converting enzyme-1

J Med Chem 43: 488-504 (2000)


BindingDB Entry DOI: 10.7270/Q21G0MZR
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50084905
PNG
(CHEMBL147964 | {1-[2-Dibenzofuran-3-yl-1-(1H-tetra...)
Show SMILES OP(O)(=O)C(CCc1cccc2ccccc12)N[C@@H](Cc1ccc2c(c1)oc1ccccc21)c1nnn[nH]1
Show InChI InChI=1S/C28H26N5O4P/c34-38(35,36)27(15-13-20-8-5-7-19-6-1-2-9-21(19)20)29-24(28-30-32-33-31-28)16-18-12-14-23-22-10-3-4-11-25(22)37-26(23)17-18/h1-12,14,17,24,27,29H,13,15-16H2,(H2,34,35,36)(H,30,31,32,33)/t24-,27?/m0/s1
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n/an/a 2.60n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In Vitro inhibition of recombinant human endothelin converting enzyme-1

J Med Chem 43: 488-504 (2000)


BindingDB Entry DOI: 10.7270/Q21G0MZR
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))		BDBM50084897
PNG
(3-Dibenzofuran-3-yl-2-[3-dibenzofuran-3-yl-2-(phos...)
Show SMILES OC(=O)[C@H](Cc1ccc2c(c1)oc1ccccc21)NC(=O)[C@H](Cc1ccc2c(c1)oc1ccccc21)NCP(O)(O)=O
Show InChI InChI=1S/C31H27N2O8P/c34-30(33-25(31(35)36)14-19-10-12-23-21-6-2-4-8-27(21)41-29(23)16-19)24(32-17-42(37,38)39)13-18-9-11-22-20-5-1-3-7-26(20)40-28(22)15-18/h1-12,15-16,24-25,32H,13-14,17H2,(H,33,34)(H,35,36)(H2,37,38,39)/t24-,25-/m0/s1
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n/an/a 2.70n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neutral endopeptidase

J Med Chem 43: 488-504 (2000)


BindingDB Entry DOI: 10.7270/Q21G0MZR
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 4.80n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neutral endopeptidase

J Med Chem 43: 488-504 (2000)


BindingDB Entry DOI: 10.7270/Q21G0MZR
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Neprilysin


(Rattus norvegicus (Rat))		BDBM50064109
PNG
(CGS-31447 | CHEMBL285619 | {1-[(S)-2-Biphenyl-4-yl...)
Show SMILES OP(O)(=O)C(CCc1cccc2ccccc12)N[C@@H](Cc1ccc(cc1)-c1ccccc1)c1nnn[nH]1
Show InChI InChI=1S/C28H28N5O3P/c34-37(35,36)27(18-17-24-11-6-10-23-9-4-5-12-25(23)24)29-26(28-30-32-33-31-28)19-20-13-15-22(16-14-20)21-7-2-1-3-8-21/h1-16,26-27,29H,17-19H2,(H2,34,35,36)(H,30,31,32,33)/t26-,27?/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neutral endopeptidase

J Med Chem 43: 488-504 (2000)


BindingDB Entry DOI: 10.7270/Q21G0MZR
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50084903
PNG
(CHEMBL148056 | {[2-Dibenzofuran-3-yl-1-(1H-tetrazo...)
Show SMILES OP(O)(=O)CNC(Cc1ccc2c(c1)oc1ccccc21)c1nnn[nH]1
Show InChI InChI=1S/C16H16N5O4P/c22-26(23,24)9-17-13(16-18-20-21-19-16)7-10-5-6-12-11-3-1-2-4-14(11)25-15(12)8-10/h1-6,8,13,17H,7,9H2,(H2,22,23,24)(H,18,19,20,21)
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n/an/a 6n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In Vitro inhibition of recombinant human endothelin converting enzyme-1

J Med Chem 43: 488-504 (2000)


BindingDB Entry DOI: 10.7270/Q21G0MZR
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50084897
PNG
(3-Dibenzofuran-3-yl-2-[3-dibenzofuran-3-yl-2-(phos...)
Show SMILES OC(=O)[C@H](Cc1ccc2c(c1)oc1ccccc21)NC(=O)[C@H](Cc1ccc2c(c1)oc1ccccc21)NCP(O)(O)=O
Show InChI InChI=1S/C31H27N2O8P/c34-30(33-25(31(35)36)14-19-10-12-23-21-6-2-4-8-27(21)41-29(23)16-19)24(32-17-42(37,38)39)13-18-9-11-22-20-5-1-3-7-26(20)40-28(22)15-18/h1-12,15-16,24-25,32H,13-14,17H2,(H,33,34)(H,35,36)(H2,37,38,39)/t24-,25-/m0/s1
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n/an/a 6.40n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In Vitro inhibition of recombinant human endothelin converting enzyme-1

J Med Chem 43: 488-504 (2000)


BindingDB Entry DOI: 10.7270/Q21G0MZR
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50064110
PNG
(2-{2-[(S)-5-(2,4-Difluoro-phenyl)-2-(phosphonometh...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC#Cc1ccc(F)cc1F)NCP(O)(O)=O)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C21H28F2N3O7P/c1-12(2)9-18(20(28)25-13(3)21(29)30)26-19(27)17(24-11-34(31,32)33)6-4-5-14-7-8-15(22)10-16(14)23/h7-8,10,12-13,17-18,24H,6,9,11H2,1-3H3,(H,25,28)(H,26,27)(H,29,30)(H2,31,32,33)/t13-,17-,18-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In Vitro inhibition of recombinant human endothelin converting enzyme-1

J Med Chem 43: 488-504 (2000)


BindingDB Entry DOI: 10.7270/Q21G0MZR
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50091882
PNG
((S)-3-Biphenyl-4-yl-2-{[1-((S)-2-mercapto-1-oxo-pe...)
Show SMILES CCC[C@H](S)C(=O)NC1(CCCC1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C26H32N2O4S/c1-2-8-22(33)23(29)28-26(15-6-7-16-26)25(32)27-21(24(30)31)17-18-11-13-20(14-12-18)19-9-4-3-5-10-19/h3-5,9-14,21-22,33H,2,6-8,15-17H2,1H3,(H,27,32)(H,28,29)(H,30,31)/t21-,22-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against Endothelin converting enzyme 1

Bioorg Med Chem Lett 11: 375-8 (2001)


BindingDB Entry DOI: 10.7270/Q2HH6JC8
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))		BDBM50084895
PNG
(2-[(S)-3-Dibenzofuran-3-yl-2-(phosphonomethyl-amin...)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)[C@H](Cc1ccc2c(c1)oc1ccccc21)NCP(O)(O)=O |r|
Show InChI InChI=1S/C25H25N2O7P/c28-24(27-21(25(29)30)12-16-6-2-1-3-7-16)20(26-15-35(31,32)33)13-17-10-11-19-18-8-4-5-9-22(18)34-23(19)14-17/h1-11,14,20-21,26H,12-13,15H2,(H,27,28)(H,29,30)(H2,31,32,33)/t20-,21?/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neutral endopeptidase

J Med Chem 43: 488-504 (2000)


BindingDB Entry DOI: 10.7270/Q21G0MZR
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50084898
PNG
(2-[3-Dibenzofuran-3-yl-2-(phosphonomethyl-amino)-p...)
Show SMILES CC(C)CC(NC(=O)[C@H](Cc1ccc2c(c1)oc1ccccc21)NCP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C22H27N2O7P/c1-13(2)9-18(22(26)27)24-21(25)17(23-12-32(28,29)30)10-14-7-8-16-15-5-3-4-6-19(15)31-20(16)11-14/h3-8,11,13,17-18,23H,9-10,12H2,1-2H3,(H,24,25)(H,26,27)(H2,28,29,30)/t17-,18?/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In Vitro inhibition of recombinant human endothelin converting enzyme-1

J Med Chem 43: 488-504 (2000)


BindingDB Entry DOI: 10.7270/Q21G0MZR
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))		BDBM50064096
PNG
(CHEMBL40028 | {[(S)-4-(2-Fluoro-phenyl)-1-(2H-tetr...)
Show SMILES OP(O)(=O)CN[C@@H](CC#Cc1ccccc1F)c1nnn[nH]1
Show InChI InChI=1S/C12H13FN5O3P/c13-10-6-2-1-4-9(10)5-3-7-11(12-15-17-18-16-12)14-8-22(19,20)21/h1-2,4,6,11,14H,7-8H2,(H2,19,20,21)(H,15,16,17,18)/t11-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neutral endopeptidase

J Med Chem 43: 488-504 (2000)


BindingDB Entry DOI: 10.7270/Q21G0MZR
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50064109
PNG
(CGS-31447 | CHEMBL285619 | {1-[(S)-2-Biphenyl-4-yl...)
Show SMILES OP(O)(=O)C(CCc1cccc2ccccc12)N[C@@H](Cc1ccc(cc1)-c1ccccc1)c1nnn[nH]1
Show InChI InChI=1S/C28H28N5O3P/c34-37(35,36)27(18-17-24-11-6-10-23-9-4-5-12-25(23)24)29-26(28-30-32-33-31-28)19-20-13-15-22(16-14-20)21-7-2-1-3-8-21/h1-16,26-27,29H,17-19H2,(H2,34,35,36)(H,30,31,32,33)/t26-,27?/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In Vitro inhibition of recombinant human endothelin converting enzyme-1

J Med Chem 43: 488-504 (2000)


BindingDB Entry DOI: 10.7270/Q21G0MZR
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50084893
PNG
((S)-3-(dibenzo[b,d]furan-3-yl)-2-(phosphonomethyla...)
Show SMILES OC(=O)[C@H](Cc1ccc2c(c1)oc1ccccc21)NCP(O)(O)=O
Show InChI InChI=1S/C16H16NO6P/c18-16(19)13(17-9-24(20,21)22)7-10-5-6-12-11-3-1-2-4-14(11)23-15(12)8-10/h1-6,8,13,17H,7,9H2,(H,18,19)(H2,20,21,22)/t13-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In Vitro inhibition of recombinant human endothelin converting enzyme-1

J Med Chem 43: 488-504 (2000)


BindingDB Entry DOI: 10.7270/Q21G0MZR
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50084892
PNG
(3-Dibenzofuran-3-yl-2-[1-phosphono-3-(3,4,5-trimet...)
Show SMILES COc1cc(CCC(N[C@@H](Cc2ccc3c(c2)oc2ccccc32)C(O)=O)P(O)(O)=O)cc(OC)c1OC
Show InChI InChI=1S/C27H30NO9P/c1-34-23-14-17(15-24(35-2)26(23)36-3)9-11-25(38(31,32)33)28-20(27(29)30)12-16-8-10-19-18-6-4-5-7-21(18)37-22(19)13-16/h4-8,10,13-15,20,25,28H,9,11-12H2,1-3H3,(H,29,30)(H2,31,32,33)/t20-,25?/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In Vitro inhibition of recombinant human endothelin converting enzyme-1

J Med Chem 43: 488-504 (2000)


BindingDB Entry DOI: 10.7270/Q21G0MZR
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50084895
PNG
(2-[(S)-3-Dibenzofuran-3-yl-2-(phosphonomethyl-amin...)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)[C@H](Cc1ccc2c(c1)oc1ccccc21)NCP(O)(O)=O |r|
Show InChI InChI=1S/C25H25N2O7P/c28-24(27-21(25(29)30)12-16-6-2-1-3-7-16)20(26-15-35(31,32)33)13-17-10-11-19-18-8-4-5-9-22(18)34-23(19)14-17/h1-11,14,20-21,26H,12-13,15H2,(H,27,28)(H,29,30)(H2,31,32,33)/t20-,21?/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In Vitro inhibition of recombinant human endothelin converting enzyme-1

J Med Chem 43: 488-504 (2000)


BindingDB Entry DOI: 10.7270/Q21G0MZR
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50084910
PNG
(3-Dibenzofuran-3-yl-2-[3-(3,4-dimethoxy-phenyl)-1-...)
Show SMILES COc1ccc(CCC(N[C@@H](Cc2ccc3c(c2)oc2ccccc32)C(O)=O)P(O)(O)=O)cc1OC
Show InChI InChI=1S/C26H28NO8P/c1-33-22-11-8-16(14-24(22)34-2)9-12-25(36(30,31)32)27-20(26(28)29)13-17-7-10-19-18-5-3-4-6-21(18)35-23(19)15-17/h3-8,10-11,14-15,20,25,27H,9,12-13H2,1-2H3,(H,28,29)(H2,30,31,32)/t20-,25?/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In Vitro inhibition of recombinant human endothelin converting enzyme-1

J Med Chem 43: 488-504 (2000)


BindingDB Entry DOI: 10.7270/Q21G0MZR
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50084910
PNG
(3-Dibenzofuran-3-yl-2-[3-(3,4-dimethoxy-phenyl)-1-...)
Show SMILES COc1ccc(CCC(N[C@@H](Cc2ccc3c(c2)oc2ccccc32)C(O)=O)P(O)(O)=O)cc1OC
Show InChI InChI=1S/C26H28NO8P/c1-33-22-11-8-16(14-24(22)34-2)9-12-25(36(30,31)32)27-20(26(28)29)13-17-7-10-19-18-5-3-4-6-21(18)35-23(19)15-17/h3-8,10-11,14-15,20,25,27H,9,12-13H2,1-2H3,(H,28,29)(H2,30,31,32)/t20-,25?/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In Vitro inhibition of recombinant human endothelin converting enzyme-1

J Med Chem 43: 488-504 (2000)


BindingDB Entry DOI: 10.7270/Q21G0MZR
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50084911
PNG
(CHEMBL147163 | {[2-(9-Oxo-9H-fluoren-2-yl)-1-(1H-t...)
Show SMILES OP(O)(=O)CNC(Cc1ccc2-c3ccccc3C(=O)c2c1)c1nnn[nH]1
Show InChI InChI=1S/C17H16N5O4P/c23-16-13-4-2-1-3-11(13)12-6-5-10(7-14(12)16)8-15(17-19-21-22-20-17)18-9-27(24,25)26/h1-7,15,18H,8-9H2,(H2,24,25,26)(H,19,20,21,22)
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n/an/a 30n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In Vitro inhibition of recombinant human endothelin converting enzyme-1

J Med Chem 43: 488-504 (2000)


BindingDB Entry DOI: 10.7270/Q21G0MZR
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))		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 30n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neutral endopeptidase

J Med Chem 43: 488-504 (2000)


BindingDB Entry DOI: 10.7270/Q21G0MZR
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Neprilysin


(Rattus norvegicus (Rat))		BDBM50084898
PNG
(2-[3-Dibenzofuran-3-yl-2-(phosphonomethyl-amino)-p...)
Show SMILES CC(C)CC(NC(=O)[C@H](Cc1ccc2c(c1)oc1ccccc21)NCP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C22H27N2O7P/c1-13(2)9-18(22(26)27)24-21(25)17(23-12-32(28,29)30)10-14-7-8-16-15-5-3-4-6-19(15)31-20(16)11-14/h3-8,11,13,17-18,23H,9-10,12H2,1-2H3,(H,24,25)(H,26,27)(H2,28,29,30)/t17-,18?/m0/s1
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n/an/a 31n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neutral endopeptidase

J Med Chem 43: 488-504 (2000)


BindingDB Entry DOI: 10.7270/Q21G0MZR
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50084912
PNG
(3-Dibenzofuran-3-yl-2-[1-phosphono-3-(2,4,5-trimet...)
Show SMILES COc1cc(OC)c(OC)cc1CCC(N[C@@H](Cc1ccc2c(c1)oc1ccccc21)C(O)=O)P(O)(O)=O
Show InChI InChI=1S/C27H30NO9P/c1-34-22-15-25(36-3)24(35-2)14-17(22)9-11-26(38(31,32)33)28-20(27(29)30)12-16-8-10-19-18-6-4-5-7-21(18)37-23(19)13-16/h4-8,10,13-15,20,26,28H,9,11-12H2,1-3H3,(H,29,30)(H2,31,32,33)/t20-,26?/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In Vitro inhibition of recombinant human endothelin converting enzyme-1

J Med Chem 43: 488-504 (2000)


BindingDB Entry DOI: 10.7270/Q21G0MZR
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50064120
PNG
((S)-2-[(S)-5-(2,4-Difluoro-phenyl)-2-(phosphonomet...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC#Cc1ccc(F)cc1F)NCP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C18H23F2N2O6P/c1-11(2)8-16(18(24)25)22-17(23)15(21-10-29(26,27)28)5-3-4-12-6-7-13(19)9-14(12)20/h6-7,9,11,15-16,21H,5,8,10H2,1-2H3,(H,22,23)(H,24,25)(H2,26,27,28)/t15-,16-/m0/s1
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n/an/a 51n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In Vitro inhibition of recombinant human endothelin converting enzyme-1

J Med Chem 43: 488-504 (2000)


BindingDB Entry DOI: 10.7270/Q21G0MZR
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50084900
PNG
(3-Dibenzofuran-3-yl-2-(5-methyl-1-phosphono-hexyla...)
Show SMILES CC(C)CCCC(N[C@@H](Cc1ccc2c(c1)oc1ccccc21)C(O)=O)P(O)(O)=O
Show InChI InChI=1S/C22H28NO6P/c1-14(2)6-5-9-21(30(26,27)28)23-18(22(24)25)12-15-10-11-17-16-7-3-4-8-19(16)29-20(17)13-15/h3-4,7-8,10-11,13-14,18,21,23H,5-6,9,12H2,1-2H3,(H,24,25)(H2,26,27,28)/t18-,21?/m0/s1
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n/an/a 65n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In Vitro inhibition of recombinant human endothelin converting enzyme-1

J Med Chem 43: 488-504 (2000)


BindingDB Entry DOI: 10.7270/Q21G0MZR
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50084899
PNG
(2-(5-Amino-1-phosphono-pentylamino)-3-dibenzofuran...)
Show SMILES NCCCCC(N[C@@H](Cc1ccc2c(c1)oc1ccccc21)C(O)=O)P(O)(O)=O
Show InChI InChI=1S/C20H25N2O6P/c21-10-4-3-7-19(29(25,26)27)22-16(20(23)24)11-13-8-9-15-14-5-1-2-6-17(14)28-18(15)12-13/h1-2,5-6,8-9,12,16,19,22H,3-4,7,10-11,21H2,(H,23,24)(H2,25,26,27)/t16-,19?/m0/s1
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n/an/a 97n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In Vitro inhibition of recombinant human endothelin converting enzyme-1

J Med Chem 43: 488-504 (2000)


BindingDB Entry DOI: 10.7270/Q21G0MZR
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50084894
PNG
(3-Dibenzofuran-3-yl-2-[3-(2,3-dimethoxy-phenyl)-1-...)
Show SMILES COc1cccc(CCC(N[C@@H](Cc2ccc3c(c2)oc2ccccc32)C(O)=O)P(O)(O)=O)c1OC
Show InChI InChI=1S/C26H28NO8P/c1-33-22-9-5-6-17(25(22)34-2)11-13-24(36(30,31)32)27-20(26(28)29)14-16-10-12-19-18-7-3-4-8-21(18)35-23(19)15-16/h3-10,12,15,20,24,27H,11,13-14H2,1-2H3,(H,28,29)(H2,30,31,32)/t20-,24?/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In Vitro inhibition of recombinant human endothelin converting enzyme-1

J Med Chem 43: 488-504 (2000)


BindingDB Entry DOI: 10.7270/Q21G0MZR
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50084894
PNG
(3-Dibenzofuran-3-yl-2-[3-(2,3-dimethoxy-phenyl)-1-...)
Show SMILES COc1cccc(CCC(N[C@@H](Cc2ccc3c(c2)oc2ccccc32)C(O)=O)P(O)(O)=O)c1OC
Show InChI InChI=1S/C26H28NO8P/c1-33-22-9-5-6-17(25(22)34-2)11-13-24(36(30,31)32)27-20(26(28)29)14-16-10-12-19-18-7-3-4-8-21(18)35-23(19)15-16/h3-10,12,15,20,24,27H,11,13-14H2,1-2H3,(H,28,29)(H2,30,31,32)/t20-,24?/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In Vitro inhibition of recombinant human endothelin converting enzyme-1

J Med Chem 43: 488-504 (2000)


BindingDB Entry DOI: 10.7270/Q21G0MZR
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))		BDBM50084903
PNG
(CHEMBL148056 | {[2-Dibenzofuran-3-yl-1-(1H-tetrazo...)
Show SMILES OP(O)(=O)CNC(Cc1ccc2c(c1)oc1ccccc21)c1nnn[nH]1
Show InChI InChI=1S/C16H16N5O4P/c22-26(23,24)9-17-13(16-18-20-21-19-16)7-10-5-6-12-11-3-1-2-4-14(11)25-15(12)8-10/h1-6,8,13,17H,7,9H2,(H2,22,23,24)(H,18,19,20,21)
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Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neutral endopeptidase

J Med Chem 43: 488-504 (2000)


BindingDB Entry DOI: 10.7270/Q21G0MZR
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50096753
PNG
(2-{[1-((S)-2-Mercapto-3-methyl-1-oxo-butylamino)-c...)
Show SMILES CC(C)[C@H](S)C(=O)NC1(CCCC1)C(=O)NC(Cc1ccc(cc1)-c1cncnc1)C(O)=O
Show InChI InChI=1S/C24H30N4O4S/c1-15(2)20(33)21(29)28-24(9-3-4-10-24)23(32)27-19(22(30)31)11-16-5-7-17(8-6-16)18-12-25-14-26-13-18/h5-8,12-15,19-20,33H,3-4,9-11H2,1-2H3,(H,27,32)(H,28,29)(H,30,31)/t19?,20-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against Endothelin converting enzyme 1

Bioorg Med Chem Lett 11: 375-8 (2001)


BindingDB Entry DOI: 10.7270/Q2HH6JC8
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50096747
PNG
((S)-2-{[1-((S)-2-Mercapto-3-methyl-1-oxo-butylamin...)
Show SMILES CC(C)[C@H](S)C(=O)NC1(CCCC1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccsc1)C(O)=O
Show InChI InChI=1S/C24H30N2O4S2/c1-15(2)20(31)21(27)26-24(10-3-4-11-24)23(30)25-19(22(28)29)13-16-5-7-17(8-6-16)18-9-12-32-14-18/h5-9,12,14-15,19-20,31H,3-4,10-11,13H2,1-2H3,(H,25,30)(H,26,27)(H,28,29)/t19-,20-/m0/s1
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n/an/a 130n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against Endothelin converting enzyme 1

Bioorg Med Chem Lett 11: 375-8 (2001)


BindingDB Entry DOI: 10.7270/Q2HH6JC8
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))		BDBM50084909
PNG
(CHEMBL147041 | {[2-(9-Methyl-9H-carbazol-2-yl)-1-(...)
Show SMILES Cn1c2ccccc2c2ccc(CC(NCP(O)(O)=O)c3nnn[nH]3)cc12
Show InChI InChI=1S/C17H19N6O3P/c1-23-15-5-3-2-4-12(15)13-7-6-11(9-16(13)23)8-14(17-19-21-22-20-17)18-10-27(24,25)26/h2-7,9,14,18H,8,10H2,1H3,(H2,24,25,26)(H,19,20,21,22)
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n/an/a 140n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neutral endopeptidase

J Med Chem 43: 488-504 (2000)


BindingDB Entry DOI: 10.7270/Q21G0MZR
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50064096
PNG
(CHEMBL40028 | {[(S)-4-(2-Fluoro-phenyl)-1-(2H-tetr...)
Show SMILES OP(O)(=O)CN[C@@H](CC#Cc1ccccc1F)c1nnn[nH]1
Show InChI InChI=1S/C12H13FN5O3P/c13-10-6-2-1-4-9(10)5-3-7-11(12-15-17-18-16-12)14-8-22(19,20)21/h1-2,4,6,11,14H,7-8H2,(H2,19,20,21)(H,15,16,17,18)/t11-/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In Vitro inhibition of recombinant human endothelin converting enzyme-1

J Med Chem 43: 488-504 (2000)


BindingDB Entry DOI: 10.7270/Q21G0MZR
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50096749
PNG
(2-{[1-((S)-2-Mercapto-3-methyl-1-oxo-butylamino)-c...)
Show SMILES CC(C)[C@H](S)C(=O)NC1(CCCC1)C(=O)NC(Cc1ccc(cc1)-c1cccnc1)C(O)=O
Show InChI InChI=1S/C25H31N3O4S/c1-16(2)21(33)22(29)28-25(11-3-4-12-25)24(32)27-20(23(30)31)14-17-7-9-18(10-8-17)19-6-5-13-26-15-19/h5-10,13,15-16,20-21,33H,3-4,11-12,14H2,1-2H3,(H,27,32)(H,28,29)(H,30,31)/t20?,21-/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against Endothelin converting enzyme 1

Bioorg Med Chem Lett 11: 375-8 (2001)


BindingDB Entry DOI: 10.7270/Q2HH6JC8
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50096758
PNG
((S)-2-{[1-((S)-2-Mercapto-3-methyl-1-oxo-butylamin...)
Show SMILES CC(C)[C@H](S)C(=O)NC1(CCCC1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(O)=O
Show InChI InChI=1S/C24H30N2O4S/c1-15(2)20(31)21(27)26-24(11-5-6-12-24)23(30)25-19(22(28)29)14-16-9-10-17-7-3-4-8-18(17)13-16/h3-4,7-10,13,15,19-20,31H,5-6,11-12,14H2,1-2H3,(H,25,30)(H,26,27)(H,28,29)/t19-,20-/m0/s1
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n/an/a 180n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against Endothelin converting enzyme 1

Bioorg Med Chem Lett 11: 375-8 (2001)


BindingDB Entry DOI: 10.7270/Q2HH6JC8
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50084896
PNG
(3-Dibenzofuran-3-yl-2-(1-phosphono-ethylamino)-pro...)
Show SMILES CC(N[C@@H](Cc1ccc2c(c1)oc1ccccc21)C(O)=O)P(O)(O)=O
Show InChI InChI=1S/C17H18NO6P/c1-10(25(21,22)23)18-14(17(19)20)8-11-6-7-13-12-4-2-3-5-15(12)24-16(13)9-11/h2-7,9-10,14,18H,8H2,1H3,(H,19,20)(H2,21,22,23)/t10?,14-/m0/s1
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Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In Vitro inhibition of recombinant human endothelin converting enzyme-1

J Med Chem 43: 488-504 (2000)


BindingDB Entry DOI: 10.7270/Q21G0MZR
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50084896
PNG
(3-Dibenzofuran-3-yl-2-(1-phosphono-ethylamino)-pro...)
Show SMILES CC(N[C@@H](Cc1ccc2c(c1)oc1ccccc21)C(O)=O)P(O)(O)=O
Show InChI InChI=1S/C17H18NO6P/c1-10(25(21,22)23)18-14(17(19)20)8-11-6-7-13-12-4-2-3-5-15(12)24-16(13)9-11/h2-7,9-10,14,18H,8H2,1H3,(H,19,20)(H2,21,22,23)/t10?,14-/m0/s1
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Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In Vitro inhibition of recombinant human endothelin converting enzyme-1

J Med Chem 43: 488-504 (2000)


BindingDB Entry DOI: 10.7270/Q21G0MZR
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50084891
PNG
(3-Dibenzofuran-3-yl-2-(1-phosphono-3-quinolin-8-yl...)
Show SMILES OC(=O)[C@H](Cc1ccc2c(c1)oc1ccccc21)NC(CCc1cccc2cccnc12)P(O)(O)=O
Show InChI InChI=1S/C27H25N2O6P/c30-27(31)22(15-17-10-12-21-20-8-1-2-9-23(20)35-24(21)16-17)29-25(36(32,33)34)13-11-19-6-3-5-18-7-4-14-28-26(18)19/h1-10,12,14,16,22,25,29H,11,13,15H2,(H,30,31)(H2,32,33,34)/t22-,25?/m0/s1
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Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In Vitro inhibition of recombinant human endothelin converting enzyme-1

J Med Chem 43: 488-504 (2000)


BindingDB Entry DOI: 10.7270/Q21G0MZR
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50084891
PNG
(3-Dibenzofuran-3-yl-2-(1-phosphono-3-quinolin-8-yl...)
Show SMILES OC(=O)[C@H](Cc1ccc2c(c1)oc1ccccc21)NC(CCc1cccc2cccnc12)P(O)(O)=O
Show InChI InChI=1S/C27H25N2O6P/c30-27(31)22(15-17-10-12-21-20-8-1-2-9-23(20)35-24(21)16-17)29-25(36(32,33)34)13-11-19-6-3-5-18-7-4-14-28-26(18)19/h1-10,12,14,16,22,25,29H,11,13,15H2,(H,30,31)(H2,32,33,34)/t22-,25?/m0/s1
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Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In Vitro inhibition of recombinant human endothelin converting enzyme-1

J Med Chem 43: 488-504 (2000)


BindingDB Entry DOI: 10.7270/Q21G0MZR
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))		BDBM50084905
PNG
(CHEMBL147964 | {1-[2-Dibenzofuran-3-yl-1-(1H-tetra...)
Show SMILES OP(O)(=O)C(CCc1cccc2ccccc12)N[C@@H](Cc1ccc2c(c1)oc1ccccc21)c1nnn[nH]1
Show InChI InChI=1S/C28H26N5O4P/c34-38(35,36)27(15-13-20-8-5-7-19-6-1-2-9-21(19)20)29-24(28-30-32-33-31-28)16-18-12-14-23-22-10-3-4-11-25(22)37-26(23)17-18/h1-12,14,17,24,27,29H,13,15-16H2,(H2,34,35,36)(H,30,31,32,33)/t24-,27?/m0/s1
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Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neutral endopeptidase

J Med Chem 43: 488-504 (2000)


BindingDB Entry DOI: 10.7270/Q21G0MZR
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))		BDBM50084905
PNG
(CHEMBL147964 | {1-[2-Dibenzofuran-3-yl-1-(1H-tetra...)
Show SMILES OP(O)(=O)C(CCc1cccc2ccccc12)N[C@@H](Cc1ccc2c(c1)oc1ccccc21)c1nnn[nH]1
Show InChI InChI=1S/C28H26N5O4P/c34-38(35,36)27(15-13-20-8-5-7-19-6-1-2-9-21(19)20)29-24(28-30-32-33-31-28)16-18-12-14-23-22-10-3-4-11-25(22)37-26(23)17-18/h1-12,14,17,24,27,29H,13,15-16H2,(H2,34,35,36)(H,30,31,32,33)/t24-,27?/m0/s1
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Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neutral endopeptidase

J Med Chem 43: 488-504 (2000)


BindingDB Entry DOI: 10.7270/Q21G0MZR
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50096756
PNG
(2-{[1-((S)-2-Mercapto-3-methyl-1-oxo-butylamino)-c...)
Show SMILES CC(C)[C@H](S)C(=O)NC1(CCCC1)C(=O)NC(Cc1ccc(cc1)-c1ccccn1)C(O)=O
Show InChI InChI=1S/C25H31N3O4S/c1-16(2)21(33)22(29)28-25(12-4-5-13-25)24(32)27-20(23(30)31)15-17-8-10-18(11-9-17)19-7-3-6-14-26-19/h3,6-11,14,16,20-21,33H,4-5,12-13,15H2,1-2H3,(H,27,32)(H,28,29)(H,30,31)/t20?,21-/m0/s1
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Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against Endothelin converting enzyme 1

Bioorg Med Chem Lett 11: 375-8 (2001)


BindingDB Entry DOI: 10.7270/Q2HH6JC8
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))		BDBM50084911
PNG
(CHEMBL147163 | {[2-(9-Oxo-9H-fluoren-2-yl)-1-(1H-t...)
Show SMILES OP(O)(=O)CNC(Cc1ccc2-c3ccccc3C(=O)c2c1)c1nnn[nH]1
Show InChI InChI=1S/C17H16N5O4P/c23-16-13-4-2-1-3-11(13)12-6-5-10(7-14(12)16)8-15(17-19-21-22-20-17)18-9-27(24,25)26/h1-7,15,18H,8-9H2,(H2,24,25,26)(H,19,20,21,22)
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Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neutral endopeptidase

J Med Chem 43: 488-504 (2000)


BindingDB Entry DOI: 10.7270/Q21G0MZR
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50096748
PNG
((S)-3-(4-Furan-2-yl-phenyl)-2-{[1-((S)-2-mercapto-...)
Show SMILES CC(C)[C@H](S)C(=O)NC1(CCCC1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccco1)C(O)=O
Show InChI InChI=1S/C24H30N2O5S/c1-15(2)20(32)21(27)26-24(11-3-4-12-24)23(30)25-18(22(28)29)14-16-7-9-17(10-8-16)19-6-5-13-31-19/h5-10,13,15,18,20,32H,3-4,11-12,14H2,1-2H3,(H,25,30)(H,26,27)(H,28,29)/t18-,20-/m0/s1
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Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against Endothelin converting enzyme 1

Bioorg Med Chem Lett 11: 375-8 (2001)


BindingDB Entry DOI: 10.7270/Q2HH6JC8
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50096746
PNG
((S)-2-{[1-((S)-2-Mercapto-3-methyl-1-oxo-butylamin...)
Show SMILES CC(C)[C@H](S)C(=O)NC1(CCCC1)C(=O)N[C@@H](Cc1cccc2ccccc12)C(O)=O
Show InChI InChI=1S/C24H30N2O4S/c1-15(2)20(31)21(27)26-24(12-5-6-13-24)23(30)25-19(22(28)29)14-17-10-7-9-16-8-3-4-11-18(16)17/h3-4,7-11,15,19-20,31H,5-6,12-14H2,1-2H3,(H,25,30)(H,26,27)(H,28,29)/t19-,20-/m0/s1
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Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against Endothelin converting enzyme 1

Bioorg Med Chem Lett 11: 375-8 (2001)


BindingDB Entry DOI: 10.7270/Q2HH6JC8
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50096752
PNG
(3-(2',3'-Dimethoxy-biphenyl-4-yl)-2-{[1-((S)-2-mer...)
Show SMILES COc1cccc(-c2ccc(CC(NC(=O)C3(CCCC3)NC(=O)[C@@H](S)C(C)C)C(O)=O)cc2)c1OC
Show InChI InChI=1S/C28H36N2O6S/c1-17(2)24(37)25(31)30-28(14-5-6-15-28)27(34)29-21(26(32)33)16-18-10-12-19(13-11-18)20-8-7-9-22(35-3)23(20)36-4/h7-13,17,21,24,37H,5-6,14-16H2,1-4H3,(H,29,34)(H,30,31)(H,32,33)/t21?,24-/m0/s1
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Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against Endothelin converting enzyme 1

Bioorg Med Chem Lett 11: 375-8 (2001)


BindingDB Entry DOI: 10.7270/Q2HH6JC8
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50096751
PNG
((S)-2-{[1-((S)-2-Mercapto-3-methyl-1-oxo-butylamin...)
Show SMILES COc1ccccc1-c1ccc(C[C@H](NC(=O)C2(CCCC2)NC(=O)[C@@H](S)C(C)C)C(O)=O)cc1
Show InChI InChI=1S/C27H34N2O5S/c1-17(2)23(35)24(30)29-27(14-6-7-15-27)26(33)28-21(25(31)32)16-18-10-12-19(13-11-18)20-8-4-5-9-22(20)34-3/h4-5,8-13,17,21,23,35H,6-7,14-16H2,1-3H3,(H,28,33)(H,29,30)(H,31,32)/t21-,23-/m0/s1
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Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against Endothelin converting enzyme 1

Bioorg Med Chem Lett 11: 375-8 (2001)


BindingDB Entry DOI: 10.7270/Q2HH6JC8
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50064106
PNG
(CGS-26303 | CHEMBL290698 | {[(R)-2-Biphenyl-4-yl-1...)
Show SMILES OP(O)(=O)CN[C@@H](Cc1ccc(cc1)-c1ccccc1)c1nnn[nH]1
Show InChI InChI=1S/C16H18N5O3P/c22-25(23,24)11-17-15(16-18-20-21-19-16)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,15,17H,10-11H2,(H2,22,23,24)(H,18,19,20,21)/t15-/m0/s1
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Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In Vitro inhibition of recombinant human endothelin converting enzyme-1

J Med Chem 43: 488-504 (2000)


BindingDB Entry DOI: 10.7270/Q21G0MZR
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))		BDBM50084906
PNG
(CHEMBL343904 | {[2-(9H-Fluoren-2-yl)-1-(1H-tetrazo...)
Show SMILES OP(O)(=O)CNC(Cc1ccc-2c(Cc3ccccc-23)c1)c1nnn[nH]1
Show InChI InChI=1S/C17H18N5O3P/c23-26(24,25)10-18-16(17-19-21-22-20-17)8-11-5-6-15-13(7-11)9-12-3-1-2-4-14(12)15/h1-7,16,18H,8-10H2,(H2,23,24,25)(H,19,20,21,22)
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Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neutral endopeptidase

J Med Chem 43: 488-504 (2000)


BindingDB Entry DOI: 10.7270/Q21G0MZR
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50096759
PNG
((S)-3-(4-Cyclohexyl-phenyl)-2-{[1-((S)-2-mercapto-...)
Show SMILES CC(C)[C@H](S)C(=O)NC1(CCCC1)C(=O)N[C@@H](Cc1ccc(cc1)C1CCCCC1)C(O)=O
Show InChI InChI=1S/C26H38N2O4S/c1-17(2)22(33)23(29)28-26(14-6-7-15-26)25(32)27-21(24(30)31)16-18-10-12-20(13-11-18)19-8-4-3-5-9-19/h10-13,17,19,21-22,33H,3-9,14-16H2,1-2H3,(H,27,32)(H,28,29)(H,30,31)/t21-,22-/m0/s1
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Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against Endothelin converting enzyme 1

Bioorg Med Chem Lett 11: 375-8 (2001)


BindingDB Entry DOI: 10.7270/Q2HH6JC8
More data for this
Ligand-Target Pair
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