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Compile Data Set for Download or QSAR

Found 91 hits of ic50 data for polymerid = 5445   
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


(Rattus norvegicus (Rat))		BDBM50046841
PNG
(CHEMBL357864 | Morpholine-4-carboxylic acid {2-cyc...)
Show SMILES CCC(C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C38H58N4O6/c1-5-26(4)34(41-36(45)32(23-27-11-7-6-8-12-27)40-38(47)42-17-19-48-20-18-42)37(46)39-31(35(44)33(43)21-25(2)3)24-28-15-16-29-13-9-10-14-30(29)22-28/h9-10,13-16,22,25-27,31-35,43-44H,5-8,11-12,17-21,23-24H2,1-4H3,(H,39,46)(H,40,47)(H,41,45)/t26?,31-,32-,33-,34-,35+/m0/s1
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n/an/a 2.10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of conversion of big endothelial-1 (Big ET-1) to ET-1 by endothelin converting enzyme(ECE) in rat lung membrane.

J Med Chem 36: 468-78 (1993)


BindingDB Entry DOI: 10.7270/Q2PC331F
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Rattus norvegicus (Rat))		BDBM50368802
PNG
(CHEMBL1791097)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)CCC(O)=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C37H55N3O7/c1-5-24(4)34(40-36(46)30(21-25-11-7-6-8-12-25)38-32(42)17-18-33(43)44)37(47)39-29(35(45)31(41)19-23(2)3)22-26-15-16-27-13-9-10-14-28(27)20-26/h9-10,13-16,20,23-25,29-31,34-35,41,45H,5-8,11-12,17-19,21-22H2,1-4H3,(H,38,42)(H,39,47)(H,40,46)(H,43,44)/t24-,29+,30+,31+,34+,35-/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of conversion of big endothelial-1 (Big ET-1) to ET-1 by endothelin converting enzyme(ECE) in rat lung membrane.

J Med Chem 36: 468-78 (1993)


BindingDB Entry DOI: 10.7270/Q2PC331F
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Rattus norvegicus (Rat))		BDBM50407080
PNG
(CHEMBL2112254)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccc2ccccc2c1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C38H59N3O6/c1-8-25(4)33(41-35(44)31(22-26-14-10-9-11-15-26)40-37(46)47-38(5,6)7)36(45)39-30(34(43)32(42)20-24(2)3)23-27-18-19-28-16-12-13-17-29(28)21-27/h12-13,16-19,21,24-26,30-34,42-43H,8-11,14-15,20,22-23H2,1-7H3,(H,39,45)(H,40,46)(H,41,44)/t25-,30-,31-,32-,33-,34+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of conversion of big endothelial-1 (Big ET-1) to ET-1 by endothelin converting enzyme(ECE) in rat lung membrane.

J Med Chem 36: 468-78 (1993)


BindingDB Entry DOI: 10.7270/Q2PC331F
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Rattus norvegicus (Rat))		BDBM50407074
PNG
(CHEMBL2112267)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N1CCN(C)CC1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C38H61N5O6S/c1-6-27(4)35(40-37(46)33(24-28-12-8-7-9-13-28)41-50(48,49)43-20-18-42(5)19-21-43)38(47)39-32(36(45)34(44)22-26(2)3)25-29-16-17-30-14-10-11-15-31(30)23-29/h10-11,14-17,23,26-28,32-36,41,44-45H,6-9,12-13,18-22,24-25H2,1-5H3,(H,39,47)(H,40,46)/t27-,32-,33-,34-,35-,36+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of conversion of big endothelial-1 (Big ET-1) to ET-1 by endothelin converting enzyme(ECE) in rat lung membrane.

J Med Chem 36: 468-78 (1993)


BindingDB Entry DOI: 10.7270/Q2PC331F
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Rattus norvegicus (Rat))		BDBM50407089
PNG
(CHEMBL2112253)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(C)=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C35H53N3O5/c1-6-23(4)32(38-34(42)30(36-24(5)39)20-25-12-8-7-9-13-25)35(43)37-29(33(41)31(40)18-22(2)3)21-26-16-17-27-14-10-11-15-28(27)19-26/h10-11,14-17,19,22-23,25,29-33,40-41H,6-9,12-13,18,20-21H2,1-5H3,(H,36,39)(H,37,43)(H,38,42)/t23-,29-,30-,31-,32-,33+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of conversion of big endothelial-1 (Big ET-1) to ET-1 by endothelin converting enzyme(ECE) in rat lung membrane.

J Med Chem 36: 468-78 (1993)


BindingDB Entry DOI: 10.7270/Q2PC331F
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Rattus norvegicus (Rat))		BDBM50407087
PNG
(CHEMBL2112258)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)NCCc1ccccn1
Show InChI InChI=1S/C35H59N5O6/c1-8-24(4)31(40-32(43)28(21-25-14-10-9-11-15-25)39-34(45)46-35(5,6)7)33(44)38-27(20-23(2)3)29(41)22-30(42)37-19-17-26-16-12-13-18-36-26/h12-13,16,18,23-25,27-29,31,41H,8-11,14-15,17,19-22H2,1-7H3,(H,37,42)(H,38,44)(H,39,45)(H,40,43)/t24-,27-,28-,29-,31-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of conversion of big endothelial-1 (Big ET-1) to ET-1 by endothelin converting enzyme(ECE) in rat lung membrane.

J Med Chem 36: 468-78 (1993)


BindingDB Entry DOI: 10.7270/Q2PC331F
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Rattus norvegicus (Rat))		BDBM50407076
PNG
(CHEMBL2112270)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)NCC(C)C
Show InChI InChI=1S/C32H60N4O6/c1-10-22(6)28(30(40)34-24(16-20(2)3)26(37)18-27(38)33-19-21(4)5)36-29(39)25(17-23-14-12-11-13-15-23)35-31(41)42-32(7,8)9/h20-26,28,37H,10-19H2,1-9H3,(H,33,38)(H,34,40)(H,35,41)(H,36,39)/t22-,24-,25-,26-,28-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of conversion of big endothelial-1 (Big ET-1) to ET-1 by endothelin converting enzyme(ECE) in rat lung membrane.

J Med Chem 36: 468-78 (1993)


BindingDB Entry DOI: 10.7270/Q2PC331F
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Rattus norvegicus (Rat))		BDBM50407075
PNG
(CHEMBL2112262)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C36H58N4O6/c1-8-23(4)31(40-33(43)29(19-24-14-10-9-11-15-24)39-35(45)46-36(5,6)7)34(44)38-28(32(42)30(41)18-22(2)3)20-25-21-37-27-17-13-12-16-26(25)27/h12-13,16-17,21-24,28-32,37,41-42H,8-11,14-15,18-20H2,1-7H3,(H,38,44)(H,39,45)(H,40,43)/t23-,28-,29-,30-,31-,32+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of conversion of big endothelial-1 (Big ET-1) to ET-1 by endothelin converting enzyme(ECE) in rat lung membrane.

J Med Chem 36: 468-78 (1993)


BindingDB Entry DOI: 10.7270/Q2PC331F
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Rattus norvegicus (Rat))		BDBM50407070
PNG
(CHEMBL2112268)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)N(C)CCN(C)C)C(=O)N[C@@H](Cc1ccc2ccccc2c1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C39H63N5O5/c1-8-27(4)35(42-37(47)33(24-28-14-10-9-11-15-28)41-39(49)44(7)21-20-43(5)6)38(48)40-32(36(46)34(45)22-26(2)3)25-29-18-19-30-16-12-13-17-31(30)23-29/h12-13,16-19,23,26-28,32-36,45-46H,8-11,14-15,20-22,24-25H2,1-7H3,(H,40,48)(H,41,49)(H,42,47)/t27-,32-,33-,34-,35-,36+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of conversion of big endothelial-1 (Big ET-1) to ET-1 by endothelin converting enzyme(ECE) in rat lung membrane.

J Med Chem 36: 468-78 (1993)


BindingDB Entry DOI: 10.7270/Q2PC331F
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Rattus norvegicus (Rat))		BDBM50046820
PNG
(4-Methyl-piperazine-1-carboxylic acid {2-cyclohexy...)
Show SMILES CCC(C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCN(C)CC1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C39H61N5O5/c1-6-27(4)35(42-37(47)33(24-28-12-8-7-9-13-28)41-39(49)44-20-18-43(5)19-21-44)38(48)40-32(36(46)34(45)22-26(2)3)25-29-16-17-30-14-10-11-15-31(30)23-29/h10-11,14-17,23,26-28,32-36,45-46H,6-9,12-13,18-22,24-25H2,1-5H3,(H,40,48)(H,41,49)(H,42,47)/t27?,32-,33-,34-,35-,36+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of conversion of big endothelial-1 (Big ET-1) to ET-1 by endothelin converting enzyme(ECE) in rat lung membrane.

J Med Chem 36: 468-78 (1993)


BindingDB Entry DOI: 10.7270/Q2PC331F
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Rattus norvegicus (Rat))		BDBM50407071
PNG
(CHEMBL2112257)
Show SMILES CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C31H59N3O6/c1-10-20(5)25(33-29(38)26(21(6)11-2)34-30(39)40-31(7,8)9)28(37)32-23(18-22-15-13-12-14-16-22)27(36)24(35)17-19(3)4/h19-27,35-36H,10-18H2,1-9H3,(H,32,37)(H,33,38)(H,34,39)/t20-,21-,23-,24-,25-,26-,27+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of conversion of big endothelial-1 (Big ET-1) to ET-1 by endothelin converting enzyme(ECE) in rat lung membrane.

J Med Chem 36: 468-78 (1993)


BindingDB Entry DOI: 10.7270/Q2PC331F
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Rattus norvegicus (Rat))		BDBM50368795
PNG
(CHEMBL1791129)
Show SMILES CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]([C@H](C)CC)C(=O)N[C@@H](CC(C)C)C(O)CC(=O)N(C)CC(C)C
Show InChI InChI=1S/C30H58N4O6/c1-13-20(7)25(32-28(38)26(21(8)14-2)33-29(39)40-30(9,10)11)27(37)31-22(15-18(3)4)23(35)16-24(36)34(12)17-19(5)6/h18-23,25-26,35H,13-17H2,1-12H3,(H,31,37)(H,32,38)(H,33,39)/t20-,21-,22+,23?,25+,26+/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of conversion of big endothelial-1 (Big ET-1) to ET-1 by endothelin converting enzyme(ECE) in rat lung membrane.

J Med Chem 36: 468-78 (1993)


BindingDB Entry DOI: 10.7270/Q2PC331F
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Rattus norvegicus (Rat))		BDBM50368810
PNG
(CHEMBL1791125)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)NCCN1CCOCC1
Show InChI InChI=1S/C34H63N5O7/c1-8-24(4)30(38-31(42)27(21-25-12-10-9-11-13-25)37-33(44)46-34(5,6)7)32(43)36-26(20-23(2)3)28(40)22-29(41)35-14-15-39-16-18-45-19-17-39/h23-28,30,40H,8-22H2,1-7H3,(H,35,41)(H,36,43)(H,37,44)(H,38,42)/t24-,26+,27+,28+,30+/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of conversion of big endothelial-1 (Big ET-1) to ET-1 by endothelin converting enzyme(ECE) in rat lung membrane.

J Med Chem 36: 468-78 (1993)


BindingDB Entry DOI: 10.7270/Q2PC331F
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Rattus norvegicus (Rat))		BDBM50407072
PNG
(CHEMBL2112269)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)NCCN(C)C
Show InChI InChI=1S/C32H61N5O6/c1-10-22(4)28(30(41)34-24(18-21(2)3)26(38)20-27(39)33-16-17-37(8)9)36-29(40)25(19-23-14-12-11-13-15-23)35-31(42)43-32(5,6)7/h21-26,28,38H,10-20H2,1-9H3,(H,33,39)(H,34,41)(H,35,42)(H,36,40)/t22-,24-,25-,26-,28-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of conversion of big endothelial-1 (Big ET-1) to ET-1 by endothelin converting enzyme(ECE) in rat lung membrane.

J Med Chem 36: 468-78 (1993)


BindingDB Entry DOI: 10.7270/Q2PC331F
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Rattus norvegicus (Rat))		BDBM50171626
PNG
(5-(3,3-Dimethyl-butyrylamino)-1-(2-fluoro-benzyl)-...)
Show SMILES CC(C)(C)CC(=O)Nc1ccc2n(Cc3ccccc3F)c(cc2c1)C(=O)Nc1cccc(c1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C35H34FN5O5S/c1-35(2,3)20-32(42)38-27-13-16-30-24(18-27)19-31(41(30)21-23-7-4-5-10-29(23)36)34(44)40-26-9-6-8-22(17-26)33(43)39-25-11-14-28(15-12-25)47(37,45)46/h4-19H,20-21H2,1-3H3,(H,38,42)(H,39,43)(H,40,44)(H2,37,45,46)
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n/an/a 10n/an/an/an/an/an/a



Bayer HealthCare AG



Assay Description
Inhibition assay using ECE.

ChemMedChem 1: 96-105 (2006)


Article DOI: 10.1002/cmdc.200500009
BindingDB Entry DOI: 10.7270/Q2TQ604C
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Rattus norvegicus (Rat))		BDBM97371
PNG
(ECE Inhibitor, 14)
Show SMILES CC(C)(C)CC(=O)Nc1ccc2n(Cc3ccccc3F)c(cc2c1)C(=O)Nc1cncc(c1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C34H33FN6O5S/c1-34(2,3)17-31(42)38-25-10-13-29-22(14-25)16-30(41(29)20-21-6-4-5-7-28(21)35)33(44)40-26-15-23(18-37-19-26)32(43)39-24-8-11-27(12-9-24)47(36,45)46/h4-16,18-19H,17,20H2,1-3H3,(H,38,42)(H,39,43)(H,40,44)(H2,36,45,46)
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Bayer HealthCare AG



Assay Description
Inhibition assay using ECE.

ChemMedChem 1: 96-105 (2006)


Article DOI: 10.1002/cmdc.200500009
BindingDB Entry DOI: 10.7270/Q2TQ604C
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Rattus norvegicus (Rat))		BDBM50368814
PNG
(CHEMBL1791126)
Show SMILES CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]([C@H](C)CC)C(=O)N[C@@H](CC(C)C)C(O)CC(=O)NCCCCCCO
Show InChI InChI=1S/C31H60N4O7/c1-10-21(5)26(34-29(40)27(22(6)11-2)35-30(41)42-31(7,8)9)28(39)33-23(18-20(3)4)24(37)19-25(38)32-16-14-12-13-15-17-36/h20-24,26-27,36-37H,10-19H2,1-9H3,(H,32,38)(H,33,39)(H,34,40)(H,35,41)/t21-,22-,23+,24?,26+,27+/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of conversion of big endothelial-1 (Big ET-1) to ET-1 by endothelin converting enzyme(ECE) in rat lung membrane.

J Med Chem 36: 468-78 (1993)


BindingDB Entry DOI: 10.7270/Q2PC331F
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Rattus norvegicus (Rat))		BDBM50407088
PNG
(CHEMBL2112255)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C34H63N3O6/c1-8-23(4)29(32(41)35-26(20-24-15-11-9-12-16-24)30(39)28(38)19-22(2)3)37-31(40)27(21-25-17-13-10-14-18-25)36-33(42)43-34(5,6)7/h22-30,38-39H,8-21H2,1-7H3,(H,35,41)(H,36,42)(H,37,40)/t23-,26-,27-,28-,29-,30+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of conversion of big endothelial-1 (Big ET-1) to ET-1 by endothelin converting enzyme(ECE) in rat lung membrane.

J Med Chem 36: 468-78 (1993)


BindingDB Entry DOI: 10.7270/Q2PC331F
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Rattus norvegicus (Rat))		BDBM50368798
PNG
(CHEMBL1791120)
Show SMILES CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]([C@H](C)CC)C(=O)N[C@@H](CC(C)C)C(O)CC(=O)NCCC(C)C
Show InChI InChI=1S/C30H58N4O6/c1-12-20(7)25(33-28(38)26(21(8)13-2)34-29(39)40-30(9,10)11)27(37)32-22(16-19(5)6)23(35)17-24(36)31-15-14-18(3)4/h18-23,25-26,35H,12-17H2,1-11H3,(H,31,36)(H,32,37)(H,33,38)(H,34,39)/t20-,21-,22+,23?,25+,26+/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of conversion of big endothelial-1 (Big ET-1) to ET-1 by endothelin converting enzyme(ECE) in rat lung membrane.

J Med Chem 36: 468-78 (1993)


BindingDB Entry DOI: 10.7270/Q2PC331F
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Rattus norvegicus (Rat))		BDBM50407086
PNG
(CHEMBL2112265)
Show SMILES CCOC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)CC)[C@@H](C)CC
Show InChI InChI=1S/C27H51N3O7/c1-11-17(6)22(24(33)28-19(14-16(4)5)20(31)15-21(32)36-13-3)29-25(34)23(18(7)12-2)30-26(35)37-27(8,9)10/h16-20,22-23,31H,11-15H2,1-10H3,(H,28,33)(H,29,34)(H,30,35)/t17-,18+,19-,20-,22-,23-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of conversion of big endothelial-1 (Big ET-1) to ET-1 by endothelin converting enzyme(ECE) in rat lung membrane.

J Med Chem 36: 468-78 (1993)


BindingDB Entry DOI: 10.7270/Q2PC331F
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Rattus norvegicus (Rat))		BDBM50407078
PNG
(CHEMBL2112272)
Show SMILES CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(O)CC(=O)NCC(C)C
Show InChI InChI=1S/C29H56N4O6/c1-12-19(7)24(32-27(37)25(20(8)13-2)33-28(38)39-29(9,10)11)26(36)31-21(14-17(3)4)22(34)15-23(35)30-16-18(5)6/h17-22,24-25,34H,12-16H2,1-11H3,(H,30,35)(H,31,36)(H,32,37)(H,33,38)/t19-,20-,21-,22?,24-,25-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of conversion of big endothelial-1 (Big ET-1) to ET-1 by endothelin converting enzyme(ECE) in rat lung membrane.

J Med Chem 36: 468-78 (1993)


BindingDB Entry DOI: 10.7270/Q2PC331F
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Rattus norvegicus (Rat))		BDBM50046842
PNG
(3-{4-[2-(2-tert-Butoxycarbonylamino-3-methyl-penta...)
Show SMILES CCOC(=O)CCNC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)CC)C(C)CC
Show InChI InChI=1S/C30H56N4O8/c1-11-19(6)25(33-28(39)26(20(7)12-2)34-29(40)42-30(8,9)10)27(38)32-21(16-18(4)5)22(35)17-23(36)31-15-14-24(37)41-13-3/h18-22,25-26,35H,11-17H2,1-10H3,(H,31,36)(H,32,38)(H,33,39)(H,34,40)/t19?,20?,21-,22?,25-,26-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of conversion of big endothelial-1 (Big ET-1) to ET-1 by endothelin converting enzyme(ECE) in rat lung membrane.

J Med Chem 36: 468-78 (1993)


BindingDB Entry DOI: 10.7270/Q2PC331F
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Rattus norvegicus (Rat))		BDBM50046857
PNG
(CHEMBL143596 | [1-(1-{1-[1-Hydroxy-2-(4-hydroxy-bu...)
Show SMILES CCC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(C)CC)C(=O)N[C@@H](CC(C)C)C(O)CC(=O)NCCCCO
Show InChI InChI=1S/C29H56N4O7/c1-10-19(5)24(32-27(38)25(20(6)11-2)33-28(39)40-29(7,8)9)26(37)31-21(16-18(3)4)22(35)17-23(36)30-14-12-13-15-34/h18-22,24-25,34-35H,10-17H2,1-9H3,(H,30,36)(H,31,37)(H,32,38)(H,33,39)/t19?,20?,21-,22?,24-,25-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of conversion of big endothelial-1 (Big ET-1) to ET-1 by endothelin converting enzyme(ECE) in rat lung membrane.

J Med Chem 36: 468-78 (1993)


BindingDB Entry DOI: 10.7270/Q2PC331F
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Rattus norvegicus (Rat))		BDBM50368806
PNG
(CHEMBL1791099)
Show SMILES CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]([C@H](C)CC)C(=O)N[C@@H](CC(C)C)C(O)CC(=O)NC[C@@H](C)O
Show InChI InChI=1S/C28H54N4O7/c1-11-17(5)23(31-26(37)24(18(6)12-2)32-27(38)39-28(8,9)10)25(36)30-20(13-16(3)4)21(34)14-22(35)29-15-19(7)33/h16-21,23-24,33-34H,11-15H2,1-10H3,(H,29,35)(H,30,36)(H,31,37)(H,32,38)/t17-,18-,19-,20+,21?,23+,24+/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of conversion of big endothelial-1 (Big ET-1) to ET-1 by endothelin converting enzyme(ECE) in rat lung membrane.

J Med Chem 36: 468-78 (1993)


BindingDB Entry DOI: 10.7270/Q2PC331F
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Rattus norvegicus (Rat))		BDBM50368788
PNG
(CHEMBL1791112)
Show SMILES CCOC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)[C@H](C)CC
Show InChI InChI=1S/C30H55N3O7/c1-9-20(5)26(28(37)31-22(16-19(3)4)24(34)18-25(35)39-10-2)33-27(36)23(17-21-14-12-11-13-15-21)32-29(38)40-30(6,7)8/h19-24,26,34H,9-18H2,1-8H3,(H,31,37)(H,32,38)(H,33,36)/t20-,22+,23+,24?,26+/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of conversion of big endothelial-1 (Big ET-1) to ET-1 by endothelin converting enzyme(ECE) in rat lung membrane.

J Med Chem 36: 468-78 (1993)


BindingDB Entry DOI: 10.7270/Q2PC331F
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Rattus norvegicus (Rat))		BDBM50407090
PNG
(CHEMBL2112837)
Show SMILES CCOC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)(C)C)NC(=O)OC(C)(C)C)[C@@H](C)CC |r|
Show InChI InChI=1S/C28H53N3O7/c1-12-18(5)23(25(35)29-19(14-17(3)4)21(32)15-22(33)37-13-2)31-24(34)20(16-27(6,7)8)30-26(36)38-28(9,10)11/h17-21,23,32H,12-16H2,1-11H3,(H,29,35)(H,30,36)(H,31,34)/t18-,19-,20-,21?,23-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of conversion of big endothelial-1 (Big ET-1) to ET-1 by endothelin converting enzyme(ECE) in rat lung membrane.

J Med Chem 36: 468-78 (1993)


BindingDB Entry DOI: 10.7270/Q2PC331F
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Rattus norvegicus (Rat))		BDBM50407083
PNG
(CHEMBL2112251)
Show SMILES CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(O)CC(=O)N[C@@H](C(C)C)C(=O)NC(CC(N)=O)C(=O)NC[C@@H](C)O
Show InChI InChI=1S/C37H69N7O10/c1-13-21(7)30(43-35(52)31(22(8)14-2)44-36(53)54-37(10,11)12)34(51)40-24(15-19(3)4)26(46)17-28(48)42-29(20(5)6)33(50)41-25(16-27(38)47)32(49)39-18-23(9)45/h19-26,29-31,45-46H,13-18H2,1-12H3,(H2,38,47)(H,39,49)(H,40,51)(H,41,50)(H,42,48)(H,43,52)(H,44,53)/t21-,22-,23+,24-,25?,26?,29-,30-,31-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of conversion of big endothelial-1 (Big ET-1) to ET-1 by endothelin converting enzyme(ECE) in rat lung membrane.

J Med Chem 36: 468-78 (1993)


BindingDB Entry DOI: 10.7270/Q2PC331F
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Rattus norvegicus (Rat))		BDBM50287866
PNG
((S)-2-[3-(3-Bromo-phenyl)-2-mercaptomethyl-propion...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(CS)Cc1cccc(Br)c1
Show InChI InChI=1S/C21H21BrN2O3S/c22-16-5-3-4-13(9-16)8-15(12-28)20(25)24-19(21(26)27)10-14-11-23-18-7-2-1-6-17(14)18/h1-7,9,11,15,19,23,28H,8,10,12H2,(H,24,25)(H,26,27)/t15?,19-/m0/s1
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TBA

Curated by ChEMBL


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

Bioorg Med Chem Lett 6: 2317-2322 (1996)


Article DOI: 10.1016/0960-894X(96)00420-9
BindingDB Entry DOI: 10.7270/Q27M07X0
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Rattus norvegicus (Rat))		BDBM50046856
PNG
(CHEMBL143902 | [1-(1-{1-[1-Hydroxy-2-(5-hydroxy-pe...)
Show SMILES CCC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(C)CC)C(=O)N[C@@H](CC(C)C)C(O)CC(=O)NCCCCCO
Show InChI InChI=1S/C30H58N4O7/c1-10-20(5)25(33-28(39)26(21(6)11-2)34-29(40)41-30(7,8)9)27(38)32-22(17-19(3)4)23(36)18-24(37)31-15-13-12-14-16-35/h19-23,25-26,35-36H,10-18H2,1-9H3,(H,31,37)(H,32,38)(H,33,39)(H,34,40)/t20?,21?,22-,23?,25-,26-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of conversion of big endothelial-1 (Big ET-1) to ET-1 by endothelin converting enzyme(ECE) in rat lung membrane.

J Med Chem 36: 468-78 (1993)


BindingDB Entry DOI: 10.7270/Q2PC331F
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Rattus norvegicus (Rat))		BDBM50368799
PNG
(CHEMBL1791102)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1cccc2ccccc12)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C38H59N3O6/c1-8-25(4)33(41-35(44)31(22-26-15-10-9-11-16-26)40-37(46)47-38(5,6)7)36(45)39-30(34(43)32(42)21-24(2)3)23-28-19-14-18-27-17-12-13-20-29(27)28/h12-14,17-20,24-26,30-34,42-43H,8-11,15-16,21-23H2,1-7H3,(H,39,45)(H,40,46)(H,41,44)/t25-,30+,31+,32+,33+,34-/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of conversion of big endothelial-1 (Big ET-1) to ET-1 by endothelin converting enzyme(ECE) in rat lung membrane.

J Med Chem 36: 468-78 (1993)


BindingDB Entry DOI: 10.7270/Q2PC331F
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Rattus norvegicus (Rat))		BDBM50407085
PNG
(CHEMBL2112259)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)CC(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C38H59N5O8/c1-8-23(4)33(43-34(46)29(18-24-14-10-9-11-15-24)41-37(50)51-38(5,6)7)35(47)40-28(19-25-21-39-27-17-13-12-16-26(25)27)30(44)20-31(45)42-32(22(2)3)36(48)49/h12-13,16-17,21-24,28-30,32-33,39,44H,8-11,14-15,18-20H2,1-7H3,(H,40,47)(H,41,50)(H,42,45)(H,43,46)(H,48,49)/t23-,28-,29-,30?,32-,33-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of conversion of big endothelial-1 (Big ET-1) to ET-1 by endothelin converting enzyme(ECE) in rat lung membrane.

J Med Chem 36: 468-78 (1993)


BindingDB Entry DOI: 10.7270/Q2PC331F
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Rattus norvegicus (Rat))		BDBM50287877
PNG
((S)-2-[3-(4-Bromo-phenyl)-2-mercaptomethyl-propion...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(CS)Cc1ccc(Br)cc1
Show InChI InChI=1S/C21H21BrN2O3S/c22-16-7-5-13(6-8-16)9-15(12-28)20(25)24-19(21(26)27)10-14-11-23-18-4-2-1-3-17(14)18/h1-8,11,15,19,23,28H,9-10,12H2,(H,24,25)(H,26,27)/t15?,19-/m0/s1
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TBA

Curated by ChEMBL


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

Bioorg Med Chem Lett 6: 2317-2322 (1996)


Article DOI: 10.1016/0960-894X(96)00420-9
BindingDB Entry DOI: 10.7270/Q27M07X0
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Rattus norvegicus (Rat))		BDBM50407079
PNG
(CHEMBL2112261)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(O)CC(O)=O
Show InChI InChI=1S/C28H51N3O7/c1-8-18(4)24(26(36)29-20(14-17(2)3)22(32)16-23(33)34)31-25(35)21(15-19-12-10-9-11-13-19)30-27(37)38-28(5,6)7/h17-22,24,32H,8-16H2,1-7H3,(H,29,36)(H,30,37)(H,31,35)(H,33,34)/t18-,20-,21-,22?,24-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of conversion of big endothelial-1 (Big ET-1) to ET-1 by endothelin converting enzyme(ECE) in rat lung membrane.

J Med Chem 36: 468-78 (1993)


BindingDB Entry DOI: 10.7270/Q2PC331F
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Rattus norvegicus (Rat))		BDBM50368786
PNG
(CHEMBL1791119)
Show SMILES CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]([C@H](C)CC)C(=O)N[C@@H](CC(C)C)C(O)CC(=O)NC(C)C
Show InChI InChI=1S/C28H54N4O6/c1-12-18(7)23(31-26(36)24(19(8)13-2)32-27(37)38-28(9,10)11)25(35)30-20(14-16(3)4)21(33)15-22(34)29-17(5)6/h16-21,23-24,33H,12-15H2,1-11H3,(H,29,34)(H,30,35)(H,31,36)(H,32,37)/t18-,19-,20+,21?,23+,24+/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of conversion of big endothelial-1 (Big ET-1) to ET-1 by endothelin converting enzyme(ECE) in rat lung membrane.

J Med Chem 36: 468-78 (1993)


BindingDB Entry DOI: 10.7270/Q2PC331F
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Rattus norvegicus (Rat))		BDBM50287873
PNG
((S)-2-(3-Biphenyl-3-yl-2-mercaptomethyl-propionyla...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(CS)Cc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C27H26N2O3S/c30-26(29-25(27(31)32)15-21-16-28-24-12-5-4-11-23(21)24)22(17-33)14-18-7-6-10-20(13-18)19-8-2-1-3-9-19/h1-13,16,22,25,28,33H,14-15,17H2,(H,29,30)(H,31,32)/t22?,25-/m0/s1
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TBA

Curated by ChEMBL


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

Bioorg Med Chem Lett 6: 2317-2322 (1996)


Article DOI: 10.1016/0960-894X(96)00420-9
BindingDB Entry DOI: 10.7270/Q27M07X0
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Rattus norvegicus (Rat))		BDBM50287875
PNG
((S)-2-(3-Biphenyl-4-yl-2-mercaptomethyl-propionyla...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(CS)Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H26N2O3S/c30-26(29-25(27(31)32)15-21-16-28-24-9-5-4-8-23(21)24)22(17-33)14-18-10-12-20(13-11-18)19-6-2-1-3-7-19/h1-13,16,22,25,28,33H,14-15,17H2,(H,29,30)(H,31,32)/t22?,25-/m0/s1
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TBA

Curated by ChEMBL


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

Bioorg Med Chem Lett 6: 2317-2322 (1996)


Article DOI: 10.1016/0960-894X(96)00420-9
BindingDB Entry DOI: 10.7270/Q27M07X0
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Rattus norvegicus (Rat))		BDBM50112397
PNG
(CHEMBL22323 | Sodium;4-chloro-N-{[(4-cyano-3-methy...)
Show SMILES Cc1nn(c(NC(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)c1C#N)-c1ccccc1
Show InChI InChI=1S/C18H14ClN5O3S/c1-12-16(11-20)17(24(22-12)14-5-3-2-4-6-14)21-18(25)23-28(26,27)15-9-7-13(19)8-10-15/h2-10H,1H3,(H2,21,22,23,25)/p-1
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n/an/a 42n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd.

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of Endothelin-converting enzyme (ECE) of rat lung membrane

Bioorg Med Chem Lett 12: 1275-8 (2002)


BindingDB Entry DOI: 10.7270/Q2R49RBT
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Rattus norvegicus (Rat))		BDBM50407081
PNG
(CHEMBL2112256)
Show SMILES CCOC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)[C@@H](C)CC
Show InChI InChI=1S/C29H53N3O7/c1-9-19(5)24(26(35)30-21(16-18(3)4)22(33)17-23(34)38-10-2)31-27(36)25(20-14-12-11-13-15-20)32-28(37)39-29(6,7)8/h18-22,24-25,33H,9-17H2,1-8H3,(H,30,35)(H,31,36)(H,32,37)/t19-,21-,22?,24-,25-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of conversion of big endothelial-1 (Big ET-1) to ET-1 by endothelin converting enzyme(ECE) in rat lung membrane.

J Med Chem 36: 468-78 (1993)


BindingDB Entry DOI: 10.7270/Q2PC331F
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Rattus norvegicus (Rat))		BDBM50287862
PNG
((S)-2-((S)-2-Mercaptomethyl-3-phenyl-propionylamin...)
Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1cccs1)NC(=O)[C@@H](CS)Cc1ccccc1
Show InChI InChI=1S/C23H23NO3S2/c25-22(19(15-28)13-16-5-2-1-3-6-16)24-20(23(26)27)14-17-8-10-18(11-9-17)21-7-4-12-29-21/h1-12,19-20,28H,13-15H2,(H,24,25)(H,26,27)/t19-,20+/m1/s1
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TBA

Curated by ChEMBL


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

Bioorg Med Chem Lett 6: 2317-2322 (1996)


Article DOI: 10.1016/0960-894X(96)00420-9
BindingDB Entry DOI: 10.7270/Q27M07X0
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Rattus norvegicus (Rat))		BDBM50407082
PNG
(CHEMBL2112836)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)(C)C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(O)CC(O)=O |r|
Show InChI InChI=1S/C26H49N3O7/c1-11-16(4)21(23(34)27-17(12-15(2)3)19(30)13-20(31)32)29-22(33)18(14-25(5,6)7)28-24(35)36-26(8,9)10/h15-19,21,30H,11-14H2,1-10H3,(H,27,34)(H,28,35)(H,29,33)(H,31,32)/t16-,17-,18-,19?,21-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of conversion of big endothelial-1 (Big ET-1) to ET-1 by endothelin converting enzyme(ECE) in rat lung membrane.

J Med Chem 36: 468-78 (1993)


BindingDB Entry DOI: 10.7270/Q2PC331F
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Rattus norvegicus (Rat))		BDBM50046833
PNG
(3-{4-[2-(2-tert-Butoxycarbonylamino-3-methyl-penta...)
Show SMILES CCC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(C)CC)C(=O)N[C@@H](CC(C)C)C(O)CC(=O)NCCC(O)=O
Show InChI InChI=1S/C28H52N4O8/c1-10-17(5)23(31-26(38)24(18(6)11-2)32-27(39)40-28(7,8)9)25(37)30-19(14-16(3)4)20(33)15-21(34)29-13-12-22(35)36/h16-20,23-24,33H,10-15H2,1-9H3,(H,29,34)(H,30,37)(H,31,38)(H,32,39)(H,35,36)/t17?,18?,19-,20?,23-,24-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of conversion of big endothelial-1 (Big ET-1) to ET-1 by endothelin converting enzyme(ECE) in rat lung membrane.

J Med Chem 36: 468-78 (1993)


BindingDB Entry DOI: 10.7270/Q2PC331F
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Rattus norvegicus (Rat))		BDBM50407077
PNG
(CHEMBL2112264)
Show SMILES CCOC(=O)C[C@@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)[C@@H](C)CC
Show InChI InChI=1S/C27H51N3O7/c1-11-17(6)22(24(33)28-19(14-16(4)5)20(31)15-21(32)36-13-3)29-25(34)23(18(7)12-2)30-26(35)37-27(8,9)10/h16-20,22-23,31H,11-15H2,1-10H3,(H,28,33)(H,29,34)(H,30,35)/t17-,18-,19-,20+,22-,23-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of conversion of big endothelial-1 (Big ET-1) to ET-1 by endothelin converting enzyme(ECE) in rat lung membrane.

J Med Chem 36: 468-78 (1993)


BindingDB Entry DOI: 10.7270/Q2PC331F
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Rattus norvegicus (Rat))		BDBM50046861
PNG
(2-(2-Amino-3-cyclohexyl-propionylamino)-3-methyl-p...)
Show SMILES CCC(C)[C@H](NC(=O)[C@@H](N)CC1CCCCC1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C33H51N3O4/c1-5-22(4)30(36-32(39)27(34)19-23-11-7-6-8-12-23)33(40)35-28(31(38)29(37)17-21(2)3)20-24-15-16-25-13-9-10-14-26(25)18-24/h9-10,13-16,18,21-23,27-31,37-38H,5-8,11-12,17,19-20,34H2,1-4H3,(H,35,40)(H,36,39)/t22?,27-,28-,29-,30-,31+/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of conversion of big endothelial-1 (Big ET-1) to ET-1 by endothelin converting enzyme(ECE) in rat lung membrane.

J Med Chem 36: 468-78 (1993)


BindingDB Entry DOI: 10.7270/Q2PC331F
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Rattus norvegicus (Rat))		BDBM50287872
PNG
((S)-2-[3-(3-Bromo-phenyl)-2-mercaptomethyl-propion...)
Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1cccs1)NC(=O)C(CS)Cc1cccc(Br)c1
Show InChI InChI=1S/C23H22BrNO3S2/c24-19-4-1-3-16(12-19)11-18(14-29)22(26)25-20(23(27)28)13-15-6-8-17(9-7-15)21-5-2-10-30-21/h1-10,12,18,20,29H,11,13-14H2,(H,25,26)(H,27,28)/t18?,20-/m0/s1
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TBA

Curated by ChEMBL


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

Bioorg Med Chem Lett 6: 2317-2322 (1996)


Article DOI: 10.1016/0960-894X(96)00420-9
BindingDB Entry DOI: 10.7270/Q27M07X0
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Rattus norvegicus (Rat))		BDBM50407084
PNG
(CHEMBL2112271)
Show SMILES CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(O)CC(=O)NCC1CCCCC1
Show InChI InChI=1S/C32H60N4O6/c1-10-21(5)27(35-30(40)28(22(6)11-2)36-31(41)42-32(7,8)9)29(39)34-24(17-20(3)4)25(37)18-26(38)33-19-23-15-13-12-14-16-23/h20-25,27-28,37H,10-19H2,1-9H3,(H,33,38)(H,34,39)(H,35,40)(H,36,41)/t21-,22-,24-,25?,27-,28-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of conversion of big endothelial-1 (Big ET-1) to ET-1 by endothelin converting enzyme(ECE) in rat lung membrane.

J Med Chem 36: 468-78 (1993)


BindingDB Entry DOI: 10.7270/Q2PC331F
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Rattus norvegicus (Rat))		BDBM50407091
PNG
(CHEMBL2112266)
Show SMILES CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(O)CC(N)=O
Show InChI InChI=1S/C25H48N4O6/c1-10-15(5)20(22(32)27-17(12-14(3)4)18(30)13-19(26)31)28-23(33)21(16(6)11-2)29-24(34)35-25(7,8)9/h14-18,20-21,30H,10-13H2,1-9H3,(H2,26,31)(H,27,32)(H,28,33)(H,29,34)/t15-,16-,17-,18?,20-,21-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of conversion of big endothelial-1 (Big ET-1) to ET-1 by endothelin converting enzyme(ECE) in rat lung membrane.

J Med Chem 36: 468-78 (1993)


BindingDB Entry DOI: 10.7270/Q2PC331F
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Rattus norvegicus (Rat))		BDBM50046826
PNG
(4-[2-(2-tert-Butoxycarbonylamino-3,3-dimethyl-buty...)
Show SMILES CCOC(=O)CC(O)C(CC(C)C)NC(=O)C(NC(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C)C(C)CC
Show InChI InChI=1S/C27H51N3O7/c1-12-17(5)21(23(33)28-18(14-16(3)4)19(31)15-20(32)36-13-2)29-24(34)22(26(6,7)8)30-25(35)37-27(9,10)11/h16-19,21-22,31H,12-15H2,1-11H3,(H,28,33)(H,29,34)(H,30,35)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of conversion of big endothelial-1 (Big ET-1) to ET-1 by endothelin converting enzyme(ECE) in rat lung membrane.

J Med Chem 36: 468-78 (1993)


BindingDB Entry DOI: 10.7270/Q2PC331F
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Rattus norvegicus (Rat))		BDBM50046825
PNG
(4-[2-(3-tert-Butoxy-2-tert-butoxycarbonylamino-but...)
Show SMILES CCOC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC(C)(C)C)C(C)CC
Show InChI InChI=1S/C29H55N3O8/c1-13-18(5)23(25(35)30-20(15-17(3)4)21(33)16-22(34)38-14-2)31-26(36)24(19(6)39-28(7,8)9)32-27(37)40-29(10,11)12/h17-21,23-24,33H,13-16H2,1-12H3,(H,30,35)(H,31,36)(H,32,37)/t18?,19-,20+,21?,23+,24+/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of conversion of big endothelial-1 (Big ET-1) to ET-1 by endothelin converting enzyme(ECE) in rat lung membrane.

J Med Chem 36: 468-78 (1993)


BindingDB Entry DOI: 10.7270/Q2PC331F
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Rattus norvegicus (Rat))		BDBM50287865
PNG
((S)-3-Biphenyl-4-yl-2-((S)-2-mercaptomethyl-3-phen...)
Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@@H](CS)Cc1ccccc1
Show InChI InChI=1S/C25H25NO3S/c27-24(22(17-30)15-18-7-3-1-4-8-18)26-23(25(28)29)16-19-11-13-21(14-12-19)20-9-5-2-6-10-20/h1-14,22-23,30H,15-17H2,(H,26,27)(H,28,29)/t22-,23+/m1/s1
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TBA

Curated by ChEMBL


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

Bioorg Med Chem Lett 6: 2317-2322 (1996)


Article DOI: 10.1016/0960-894X(96)00420-9
BindingDB Entry DOI: 10.7270/Q27M07X0
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Rattus norvegicus (Rat))		BDBM50287867
PNG
((S)-3-(1H-Indol-3-yl)-2-((S)-2-mercaptomethyl-3-ph...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CS)Cc1ccccc1
Show InChI InChI=1S/C21H22N2O3S/c24-20(16(13-27)10-14-6-2-1-3-7-14)23-19(21(25)26)11-15-12-22-18-9-5-4-8-17(15)18/h1-9,12,16,19,22,27H,10-11,13H2,(H,23,24)(H,25,26)/t16-,19+/m1/s1
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TBA

Curated by ChEMBL


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

Bioorg Med Chem Lett 6: 2317-2322 (1996)


Article DOI: 10.1016/0960-894X(96)00420-9
BindingDB Entry DOI: 10.7270/Q27M07X0
More data for this
Ligand-Target Pair
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