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Compile Data Set for Download or QSAR

Found 420 hits of ic50 data for polymerid = 9915   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50035236
PNG
(3-(2-Hydroxycarbamoyl-3-methyl-butyrylamino)-propi...)
Show SMILES CC(C)C(C(=O)NO)C(=O)NCCC(O)=O
Show InChI InChI=1S/C9H16N2O5/c1-5(2)7(9(15)11-16)8(14)10-4-3-6(12)13/h5,7,16H,3-4H2,1-2H3,(H,10,14)(H,11,15)(H,12,13)
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n/an/a 0.0100n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human bronchiolar smooth muscle Endothelin-converting enzyme 1

J Med Chem 38: 2119-29 (1995)


BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50035247
PNG
(2-(2-Hydroxycarbamoyl-3-methyl-butyrylamino)-3-(1H...)
Show SMILES CC(C)C(C(=O)NO)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C17H21N3O5/c1-9(2)14(16(22)20-25)15(21)19-13(17(23)24)7-10-8-18-12-6-4-3-5-11(10)12/h3-6,8-9,13-14,18,25H,7H2,1-2H3,(H,19,21)(H,20,22)(H,23,24)
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n/an/a 0.200n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human bronchiolar smooth muscle Endothelin-converting enzyme 1

J Med Chem 38: 2119-29 (1995)


BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50035246
PNG
(2-(2-Hydroxycarbamoyl-4-methyl-pentanoylamino)-3-(...)
Show SMILES CC(C)CC(C(=O)NO)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C18H23N3O5/c1-10(2)7-13(17(23)21-26)16(22)20-15(18(24)25)8-11-9-19-14-6-4-3-5-12(11)14/h3-6,9-10,13,15,19,26H,7-8H2,1-2H3,(H,20,22)(H,21,23)(H,24,25)
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n/an/a 0.25n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human bronchiolar smooth muscle Endothelin-converting enzyme 1

J Med Chem 38: 2119-29 (1995)


BindingDB Entry DOI: 10.7270/Q2D79C2M
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 0.800n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human bronchiolar smooth muscle Endothelin-converting enzyme 1

J Med Chem 38: 2119-29 (1995)


BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50035239
PNG
(CHEMBL63317 | N-[1-Carbamoyl-2-(1H-indol-3-yl)-eth...)
Show SMILES CC(C)C(C(=O)NO)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C17H22N4O4/c1-9(2)14(17(24)21-25)16(23)20-13(15(18)22)7-10-8-19-12-6-4-3-5-11(10)12/h3-6,8-9,13-14,19,25H,7H2,1-2H3,(H2,18,22)(H,20,23)(H,21,24)
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n/an/a 1.20n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human bronchiolar smooth muscle Endothelin-converting enzyme 1

J Med Chem 38: 2119-29 (1995)


BindingDB Entry DOI: 10.7270/Q2D79C2M
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
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50035251
PNG
(2-(2-Hydroxycarbamoyl-3-methyl-butyrylamino)-succi...)
Show SMILES CC(C)C(C(=O)NO)C(=O)NC(CC(N)=O)C(O)=O
Show InChI InChI=1S/C10H17N3O6/c1-4(2)7(9(16)13-19)8(15)12-5(10(17)18)3-6(11)14/h4-5,7,19H,3H2,1-2H3,(H2,11,14)(H,12,15)(H,13,16)(H,17,18)
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n/an/a 3n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human bronchiolar smooth muscle Endothelin-converting enzyme 1

J Med Chem 38: 2119-29 (1995)


BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50035249
PNG
(CHEMBL303892 | N-[1-Carbamoyl-2-(1H-indol-3-yl)-et...)
Show SMILES CC(C)CC(C(=O)NO)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C18H24N4O4/c1-10(2)7-13(18(25)22-26)17(24)21-15(16(19)23)8-11-9-20-14-6-4-3-5-12(11)14/h3-6,9-10,13,15,20,26H,7-8H2,1-2H3,(H2,19,23)(H,21,24)(H,22,25)
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n/an/a 4.80n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human bronchiolar smooth muscle Endothelin-converting enzyme 1

J Med Chem 38: 2119-29 (1995)


BindingDB Entry DOI: 10.7270/Q2D79C2M
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))		BDBM50035240
PNG
((2-Hydroxycarbamoyl-3-methyl-butyrylamino)-acetic ...)
Show SMILES CC(C)C(C(=O)NO)C(=O)NCC(O)=O
Show InChI InChI=1S/C8H14N2O5/c1-4(2)6(8(14)10-15)7(13)9-3-5(11)12/h4,6,15H,3H2,1-2H3,(H,9,13)(H,10,14)(H,11,12)
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n/an/a 6.80n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human bronchiolar smooth muscle Endothelin-converting enzyme 1

J Med Chem 38: 2119-29 (1995)


BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50159366
PNG
((2S,4R)-4-Acetylsulfanyl-2-(2,4,5-trifluoro-benzyl...)
Show SMILES CC(=O)S[C@@H]1C[C@@H](COCc2cc(F)c(F)cc2F)N(C1)C(=O)Oc1cccc2OCCOc12
Show InChI InChI=1S/C23H22F3NO6S/c1-13(28)34-16-8-15(12-30-11-14-7-18(25)19(26)9-17(14)24)27(10-16)23(29)33-21-4-2-3-20-22(21)32-6-5-31-20/h2-4,7,9,15-16H,5-6,8,10-12H2,1H3/t15-,16+/m0/s1
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n/an/a 6.90n/an/an/an/an/an/a



University Institute of Pathology

Curated by ChEMBL


Assay Description
Inhibitory concentration against human ECE-1 by RIA

J Med Chem 48: 483-98 (2005)


Article DOI: 10.1021/jm040857x
BindingDB Entry DOI: 10.7270/Q2VM4D1H
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))		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 8n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human bronchiolar smooth muscle Endothelin-converting enzyme 1

J Med Chem 38: 2119-29 (1995)


BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50105264
PNG
(2-(2-Benzyl-3-hydroxycarbamoyl-propionylamino)-pro...)
Show SMILES C[C@H](NC(=O)[C@@H](CC(=O)NO)Cc1ccccc1)C([O-])=O
Show InChI InChI=1S/C14H18N2O5/c1-9(14(19)20)15-13(18)11(8-12(17)16-21)7-10-5-3-2-4-6-10/h2-6,9,11,21H,7-8H2,1H3,(H,15,18)(H,16,17)(H,19,20)/p-1/t9-,11+/m0/s1
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Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human bronchiolar smooth muscle Endothelin-converting enzyme 1

J Med Chem 38: 2119-29 (1995)


BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50119751
PNG
(2-{[1-(2-Mercapto-4-methyl-pentanoylamino)-cyclope...)
Show SMILES CC(C)C[C@H](S)C(=O)NC1(CCCC1)C(=O)N[C@@H](Cc1ccc(nc1)-c1cccs1)C(O)=O
Show InChI InChI=1S/C24H31N3O4S2/c1-15(2)12-19(32)21(28)27-24(9-3-4-10-24)23(31)26-18(22(29)30)13-16-7-8-17(25-14-16)20-6-5-11-33-20/h5-8,11,14-15,18-19,32H,3-4,9-10,12-13H2,1-2H3,(H,26,31)(H,27,28)(H,29,30)/t18-,19-/m0/s1
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n/an/a 9.5n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of Endothelin-converting enzyme 1.

Bioorg Med Chem Lett 12: 3059-62 (2002)


BindingDB Entry DOI: 10.7270/Q26D5SCZ
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50119742
PNG
(2-{[1-(2-Mercapto-4-methyl-pentanoylamino)-cyclope...)
Show SMILES CC(C)C[C@H](S)C(=O)NC1(CCCC1)C(=O)NC(Cc1ccc(nc1)-c1ccsc1)C(O)=O
Show InChI InChI=1S/C24H31N3O4S2/c1-15(2)11-20(32)21(28)27-24(8-3-4-9-24)23(31)26-19(22(29)30)12-16-5-6-18(25-13-16)17-7-10-33-14-17/h5-7,10,13-15,19-20,32H,3-4,8-9,11-12H2,1-2H3,(H,26,31)(H,27,28)(H,29,30)/t19?,20-/m0/s1
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TBA

Assay Description
Inhibition of Homo sapiens (human) endothelin converting enzyme-1

Citation and Details

Article DOI: 10.1007/s00044-012-0433-z
BindingDB Entry DOI: 10.7270/Q2S185DK
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50119742
PNG
(2-{[1-(2-Mercapto-4-methyl-pentanoylamino)-cyclope...)
Show SMILES CC(C)C[C@H](S)C(=O)NC1(CCCC1)C(=O)NC(Cc1ccc(nc1)-c1ccsc1)C(O)=O
Show InChI InChI=1S/C24H31N3O4S2/c1-15(2)11-20(32)21(28)27-24(8-3-4-9-24)23(31)26-19(22(29)30)12-16-5-6-18(25-13-16)17-7-10-33-14-17/h5-7,10,13-15,19-20,32H,3-4,8-9,11-12H2,1-2H3,(H,26,31)(H,27,28)(H,29,30)/t19?,20-/m0/s1
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Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of Endothelin-converting enzyme 1.

Bioorg Med Chem Lett 12: 3059-62 (2002)


BindingDB Entry DOI: 10.7270/Q26D5SCZ
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50159365
PNG
((3R,5S)-5-{[(2,5-difluorobenzyl)amino]methyl}-1-(5...)
Show SMILES CCCc1cnc(nc1)N1C[C@H](S)CC1CNCc1cc(F)ccc1F
Show InChI InChI=1S/C19H24F2N4S/c1-2-3-13-8-23-19(24-9-13)25-12-17(26)7-16(25)11-22-10-14-6-15(20)4-5-18(14)21/h4-6,8-9,16-17,22,26H,2-3,7,10-12H2,1H3/t16?,17-/m1/s1
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n/an/a 10.4n/an/an/an/an/an/a



University Institute of Pathology

Curated by ChEMBL


Assay Description
Inhibitory concentration against human ECE-1 by RIA

J Med Chem 48: 483-98 (2005)


Article DOI: 10.1021/jm040857x
BindingDB Entry DOI: 10.7270/Q2VM4D1H
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50488983
PNG
(CHEMBL2297552)
Show SMILES CCC[C@@H](S)C(=O)NC1(CCCC1)C(=O)NC(Cc1ccc(cc1)-c1ccccc1)C(O)=O |r|
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-/m1/s1
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n/an/a 11n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Homo sapiens (human) endothelin converting enzyme-1

Citation and Details

Article DOI: 10.1007/s00044-012-0433-z
BindingDB Entry DOI: 10.7270/Q2S185DK
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50488971
PNG
(CHEMBL2297562)
Show SMILES COC[C@@H](S)C(=O)NC1(CCCC1)C(=O)NC(Cc1ccc(cc1)-c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C25H30N2O5S/c1-32-16-21(33)22(28)27-25(13-5-6-14-25)24(31)26-20(23(29)30)15-17-9-11-19(12-10-17)18-7-3-2-4-8-18/h2-4,7-12,20-21,33H,5-6,13-16H2,1H3,(H,26,31)(H,27,28)(H,29,30)/t20?,21-/m1/s1
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n/an/a 11n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Homo sapiens (human) endothelin converting enzyme-1

Citation and Details

Article DOI: 10.1007/s00044-012-0433-z
BindingDB Entry DOI: 10.7270/Q2S185DK
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50035235
PNG
(CHEMBL2372437 | N-[1-(Carbamoylmethyl-carbamoyl)-e...)
Show SMILES CC(C)C[C@H](C(=O)NO)C(=O)N[C@@H](C)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C12H22N4O5/c1-6(2)4-8(12(20)16-21)11(19)15-7(3)10(18)14-5-9(13)17/h6-8,21H,4-5H2,1-3H3,(H2,13,17)(H,14,18)(H,15,19)(H,16,20)/t7-,8-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human bronchiolar smooth muscle Endothelin-converting enzyme 1

J Med Chem 38: 2119-29 (1995)


BindingDB Entry DOI: 10.7270/Q2D79C2M
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 inhibition of Endothelin-converting enzyme 1.

Bioorg Med Chem Lett 12: 3059-62 (2002)


BindingDB Entry DOI: 10.7270/Q26D5SCZ
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50091878
PNG
((S)-3-Biphenyl-4-yl-2-{[1-((S)-2-mercapto-3-methox...)
Show SMILES COC[C@H](S)C(=O)NC1(CCCC1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C25H30N2O5S/c1-32-16-21(33)22(28)27-25(13-5-6-14-25)24(31)26-20(23(29)30)15-17-9-11-19(12-10-17)18-7-3-2-4-8-18/h2-4,7-12,20-21,33H,5-6,13-16H2,1H3,(H,26,31)(H,27,28)(H,29,30)/t20-,21-/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 inhibition of human Endothelin converting Enzyme-1 activity

Bioorg Med Chem Lett 10: 2037-9 (2001)


BindingDB Entry DOI: 10.7270/Q2K35SW0
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 inhibition of human Endothelin converting Enzyme-1 activity

Bioorg Med Chem Lett 10: 2037-9 (2001)


BindingDB Entry DOI: 10.7270/Q2K35SW0
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
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50098118
PNG
((2S,4R)-4-Mercapto-2-(2,4,5-trifluoro-benzyloxymet...)
Show SMILES O=c1cc(oc2ccccc12)N1CCOCC1
Show InChI InChI=1S/C13H13NO3/c15-11-9-13(14-5-7-16-8-6-14)17-12-4-2-1-3-10(11)12/h1-4,9H,5-8H2
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n/an/a 12n/an/an/an/an/an/a



University Institute of Pathology

Curated by ChEMBL


Assay Description
Inhibitory concentration against human ECE-1 by RIA

J Med Chem 48: 483-98 (2005)


Article DOI: 10.1021/jm040857x
BindingDB Entry DOI: 10.7270/Q2VM4D1H
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50064114
PNG
((S)-3-Biphenyl-4-yl-2-[(S)-5-(2-fluoro-phenyl)-2-(...)
Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](CC#Cc1ccccc1F)NCP(O)(O)=O
Show InChI InChI=1S/C27H26FN2O6P/c28-23-11-5-4-9-22(23)10-6-12-24(29-18-37(34,35)36)26(31)30-25(27(32)33)17-19-13-15-21(16-14-19)20-7-2-1-3-8-20/h1-5,7-9,11,13-16,24-25,29H,12,17-18H2,(H,30,31)(H,32,33)(H2,34,35,36)/t24-,25-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity was assessed on CHO cells expressing recombinant human Endothelin-converting enzyme 1 (ECE-1).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
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
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50064125
PNG
((S)-3-Cyclohexyl-2-[(S)-5-(2,4-difluoro-phenyl)-2-...)
Show SMILES OC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC#Cc1ccc(F)cc1F)NCP(O)(O)=O
Show InChI InChI=1S/C21H27F2N2O6P/c22-16-10-9-15(17(23)12-16)7-4-8-18(24-13-32(29,30)31)20(26)25-19(21(27)28)11-14-5-2-1-3-6-14/h9-10,12,14,18-19,24H,1-3,5-6,8,11,13H2,(H,25,26)(H,27,28)(H2,29,30,31)/t18-,19-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity was assessed on CHO cells expressing recombinant human Endothelin-converting enzyme 1 (ECE-1).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50159364
PNG
(CHEMBL192441 | isopropyl (2S,4R)-2-{[(2,5-difluoro...)
Show SMILES CC(C)OC(=O)N1C[C@H](S)CC1CNCc1cc(F)ccc1F
Show InChI InChI=1S/C16H22F2N2O2S/c1-10(2)22-16(21)20-9-14(23)6-13(20)8-19-7-11-5-12(17)3-4-15(11)18/h3-5,10,13-14,19,23H,6-9H2,1-2H3/t13?,14-/m1/s1
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n/an/a 16n/an/an/an/an/an/a



University Institute of Pathology

Curated by ChEMBL


Assay Description
Inhibitory concentration against human ECE-1 by RIA

J Med Chem 48: 483-98 (2005)


Article DOI: 10.1021/jm040857x
BindingDB Entry DOI: 10.7270/Q2VM4D1H
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))		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 Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity was assessed on CHO cells expressing recombinant human Endothelin-converting enzyme 1 (ECE-1).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
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 17n/an/an/an/an/an/a



Dipartimento di Chimica

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ECE1 by fluorimetry

Bioorg Med Chem Lett 19: 4715-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.064
BindingDB Entry DOI: 10.7270/Q2GH9JWT
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50291561
PNG
(CHEMBL10251 | {1-[(S)-2-Biphenyl-4-yl-1-(1H-tetraz...)
Show SMILES OP(O)(=O)C(Cc1cccc2ccccc12)N[C@@H](Cc1ccc(cc1)-c1ccccc1)c1nnn[nH]1
Show InChI InChI=1S/C27H26N5O3P/c33-36(34,35)26(18-23-11-6-10-22-9-4-5-12-24(22)23)28-25(27-29-31-32-30-27)17-19-13-15-21(16-14-19)20-7-2-1-3-8-20/h1-16,25-26,28H,17-18H2,(H2,33,34,35)(H,29,30,31,32)/t25-,26?/m0/s1
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n/an/a 17n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition against recombinant human Endothelin converting enzyme 1 activity

Bioorg Med Chem Lett 7: 1059-1064 (1997)


Article DOI: 10.1016/S0960-894X(97)00159-5
BindingDB Entry DOI: 10.7270/Q2WH2QGK
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50035237
PNG
(2-(2-Hydroxycarbamoylmethyl-3-methyl-butyrylamino)...)
Show SMILES CC(C)C(CC(=O)NO)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C18H23N3O5/c1-10(2)13(8-16(22)21-26)17(23)20-15(18(24)25)7-11-9-19-14-6-4-3-5-12(11)14/h3-6,9-10,13,15,19,26H,7-8H2,1-2H3,(H,20,23)(H,21,22)(H,24,25)
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n/an/a 17n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human bronchiolar smooth muscle Endothelin-converting enzyme 1

J Med Chem 38: 2119-29 (1995)


BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50035237
PNG
(2-(2-Hydroxycarbamoylmethyl-3-methyl-butyrylamino)...)
Show SMILES CC(C)C(CC(=O)NO)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C18H23N3O5/c1-10(2)13(8-16(22)21-26)17(23)20-15(18(24)25)7-11-9-19-14-6-4-3-5-12(11)14/h3-6,9-10,13,15,19,26H,7-8H2,1-2H3,(H,20,23)(H,21,22)(H,24,25)
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n/an/a 17n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human bronchiolar smooth muscle Endothelin-converting enzyme 1

J Med Chem 38: 2119-29 (1995)


BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50488990
PNG
(CHEMBL2297556)
Show SMILES CC(C)C[C@@H](S)C(=O)NC1(CCCC1)C(=O)NC(Cc1ccc(cc1)-c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C27H34N2O4S/c1-18(2)16-23(34)24(30)29-27(14-6-7-15-27)26(33)28-22(25(31)32)17-19-10-12-21(13-11-19)20-8-4-3-5-9-20/h3-5,8-13,18,22-23,34H,6-7,14-17H2,1-2H3,(H,28,33)(H,29,30)(H,31,32)/t22?,23-/m1/s1
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n/an/a 19n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Homo sapiens (human) endothelin converting enzyme-1

Citation and Details

Article DOI: 10.1007/s00044-012-0433-z
BindingDB Entry DOI: 10.7270/Q2S185DK
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50091888
PNG
((S)-3-Biphenyl-4-yl-2-{[1-((S)-2-mercapto-4-methyl...)
Show SMILES CC(C)C[C@H](S)C(=O)NC1(CCCC1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C27H34N2O4S/c1-18(2)16-23(34)24(30)29-27(14-6-7-15-27)26(33)28-22(25(31)32)17-19-10-12-21(13-11-19)20-8-4-3-5-9-20/h3-5,8-13,18,22-23,34H,6-7,14-17H2,1-2H3,(H,28,33)(H,29,30)(H,31,32)/t22-,23-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of human Endothelin converting Enzyme-1 activity

Bioorg Med Chem Lett 10: 2037-9 (2001)


BindingDB Entry DOI: 10.7270/Q2K35SW0
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))		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



CEA, DSV, Service d'Ingenierie Moleculaire des Proteines (SIMOPRO)

Curated by ChEMBL


Assay Description
Inhibition of human somatic ECE1

J Med Chem 53: 208-20 (2010)


Article DOI: 10.1021/jm9010803
BindingDB Entry DOI: 10.7270/Q2736R06
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))		BDBM50119746
PNG
(2-{[1-((S)-3-Cyclohexyl-2-mercapto-propionylamino)...)
Show SMILES OC(=O)C(Cc1ccc(nc1)-c1ccsc1)NC(=O)C1(CCCC1)NC(=O)[C@@H](S)CC1CCCCC1
Show InChI InChI=1S/C27H35N3O4S2/c31-24(23(35)15-18-6-2-1-3-7-18)30-27(11-4-5-12-27)26(34)29-22(25(32)33)14-19-8-9-21(28-16-19)20-10-13-36-17-20/h8-10,13,16-18,22-23,35H,1-7,11-12,14-15H2,(H,29,34)(H,30,31)(H,32,33)/t22?,23-/m0/s1
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n/an/a 23n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Homo sapiens (human) endothelin converting enzyme-1

Citation and Details

Article DOI: 10.1007/s00044-012-0433-z
BindingDB Entry DOI: 10.7270/Q2S185DK
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50119746
PNG
(2-{[1-((S)-3-Cyclohexyl-2-mercapto-propionylamino)...)
Show SMILES OC(=O)C(Cc1ccc(nc1)-c1ccsc1)NC(=O)C1(CCCC1)NC(=O)[C@@H](S)CC1CCCCC1
Show InChI InChI=1S/C27H35N3O4S2/c31-24(23(35)15-18-6-2-1-3-7-18)30-27(11-4-5-12-27)26(34)29-22(25(32)33)14-19-8-9-21(28-16-19)20-10-13-36-17-20/h8-10,13,16-18,22-23,35H,1-7,11-12,14-15H2,(H,29,34)(H,30,31)(H,32,33)/t22?,23-/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 Endothelin-converting enzyme 1.

Bioorg Med Chem Lett 12: 3059-62 (2002)


BindingDB Entry DOI: 10.7270/Q26D5SCZ
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50291557
PNG
(CHEMBL268761 | {1-[(S)-2-Biphenyl-4-yl-1-(1H-tetra...)
Show SMILES OP(O)(=O)C(Cc1cccc2cccnc12)N[C@@H](Cc1ccc(cc1)-c1ccccc1)c1nnn[nH]1
Show InChI InChI=1S/C26H25N6O3P/c33-36(34,35)24(17-22-9-4-8-21-10-5-15-27-25(21)22)28-23(26-29-31-32-30-26)16-18-11-13-20(14-12-18)19-6-2-1-3-7-19/h1-15,23-24,28H,16-17H2,(H2,33,34,35)(H,29,30,31,32)/t23-,24?/m0/s1
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n/an/a 23n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition against recombinant human Endothelin converting enzyme 1 activity

Bioorg Med Chem Lett 7: 1059-1064 (1997)


Article DOI: 10.1016/S0960-894X(97)00159-5
BindingDB Entry DOI: 10.7270/Q2WH2QGK
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))		BDBM50119757
PNG
(2-{[1-((S)-2-Mercapto-hexanoylamino)-cyclopentanec...)
Show SMILES CCCC[C@H](S)C(=O)NC1(CCCC1)C(=O)NC(Cc1ccc(nc1)-c1ccsc1)C(O)=O
Show InChI InChI=1S/C24H31N3O4S2/c1-2-3-6-20(32)21(28)27-24(10-4-5-11-24)23(31)26-19(22(29)30)13-16-7-8-18(25-14-16)17-9-12-33-15-17/h7-9,12,14-15,19-20,32H,2-6,10-11,13H2,1H3,(H,26,31)(H,27,28)(H,29,30)/t19?,20-/m0/s1
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n/an/a 24n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of Endothelin-converting enzyme 1.

Bioorg Med Chem Lett 12: 3059-62 (2002)


BindingDB Entry DOI: 10.7270/Q26D5SCZ
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50119757
PNG
(2-{[1-((S)-2-Mercapto-hexanoylamino)-cyclopentanec...)
Show SMILES CCCC[C@H](S)C(=O)NC1(CCCC1)C(=O)NC(Cc1ccc(nc1)-c1ccsc1)C(O)=O
Show InChI InChI=1S/C24H31N3O4S2/c1-2-3-6-20(32)21(28)27-24(10-4-5-11-24)23(31)26-19(22(29)30)13-16-7-8-18(25-14-16)17-9-12-33-15-17/h7-9,12,14-15,19-20,32H,2-6,10-11,13H2,1H3,(H,26,31)(H,27,28)(H,29,30)/t19?,20-/m0/s1
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n/an/a 24n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Homo sapiens (human) endothelin converting enzyme-1

Citation and Details

Article DOI: 10.1007/s00044-012-0433-z
BindingDB Entry DOI: 10.7270/Q2S185DK
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50064124
PNG
((S)-2-[(S)-5-(2-Fluoro-phenyl)-2-(phosphonomethyl-...)
Show SMILES OC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CC#Cc1ccccc1F)NCP(O)(O)=O
Show InChI InChI=1S/C25H24FN2O6P/c26-21-10-4-3-7-19(21)9-5-11-22(27-16-35(32,33)34)24(29)28-23(25(30)31)15-17-12-13-18-6-1-2-8-20(18)14-17/h1-4,6-8,10,12-14,22-23,27H,11,15-16H2,(H,28,29)(H,30,31)(H2,32,33,34)/t22-,23-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity was assessed on CHO cells expressing recombinant human Endothelin-converting enzyme 1 (ECE-1).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
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