Compile Data Set for Download or QSAR

Found 589 hits Enz. Inhib. hit(s) with Target = 'Endothelin-converting enzyme 1'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50303326 ((S)-2-{2-Benzyl-3-[((R)-1-benzyloxycarbonylamino-2...) Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(Cc1ccccc1)CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C37H38N3O7P/c41-35(39-33(36(42)43)22-29-23-38-32-19-11-10-18-31(29)32)30(20-26-12-4-1-5-13-26)25-48(45,46)34(21-27-14-6-2-7-15-27)40-37(44)47-24-28-16-8-3-9-17-28/h1-19,23,30,33-34,38H,20-22,24-25H2,(H,39,41)(H,40,44)(H,42,43)(H,45,46)/t30?,33-,34+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50303328 ((2S)-2-({3-[Hydroxyl(2-phenyl-(1R)-1{[(benzyloxy)c...) Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cc(no1)-c1ccccc1)CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C38H38N3O8P/c42-36(39-34(37(43)44)21-27-13-5-1-6-14-27)31(23-32-24-33(41-49-32)30-19-11-4-12-20-30)26-50(46,47)35(22-28-15-7-2-8-16-28)40-38(45)48-25-29-17-9-3-10-18-29/h1-20,24,31,34-35H,21-23,25-26H2,(H,39,42)(H,40,45)(H,43,44)(H,46,47)/t31-,34-,35+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50303323 ((2S)-2-({3-[Hydroxyl(2-phenyl-(1R)-1-{[(benzyloxy)...) Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1cc(no1)-c1ccccc1)CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C40H39N4O8P/c45-38(42-36(39(46)47)22-30-24-41-34-19-11-10-18-33(30)34)31(21-32-23-35(44-52-32)29-16-8-3-9-17-29)26-53(49,50)37(20-27-12-4-1-5-13-27)43-40(48)51-25-28-14-6-2-7-15-28/h1-19,23-24,31,36-37,41H,20-22,25-26H2,(H,42,45)(H,43,48)(H,46,47)(H,49,50)/t31-,36-,37+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50115848 ((S)-3-(1H-Indol-3-yl)-2-[(R)-3-mercapto-2-((S)-5-m...) Show SMILES COc1ccc2[C@@H](CCc2c1)[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C24H26N2O4S/c1-30-16-7-9-17-14(10-16)6-8-19(17)20(13-31)23(27)26-22(24(28)29)11-15-12-25-21-5-3-2-4-18(15)21/h2-5,7,9-10,12,19-20,22,25,31H,6,8,11,13H2,1H3,(H,26,27)(H,28,29)/t19-,20-,22+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Curated by ChEMBL					Assay Description Inhibition constant against endothelin converting enzyme 1				J Med Chem 48: 6523-43 (2005) Article DOI: 10.1021/jm058225d BindingDB Entry DOI: 10.7270/Q2SF2WZ9
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50115846 ((S)-3-(1H-Indol-3-yl)-2-[(R)-3-mercapto-2-((R)-5-m...) Show SMILES COc1ccc2[C@H](CCc2c1)[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C24H26N2O4S/c1-30-16-7-9-17-14(10-16)6-8-19(17)20(13-31)23(27)26-22(24(28)29)11-15-12-25-21-5-3-2-4-18(15)21/h2-5,7,9-10,12,19-20,22,25,31H,6,8,11,13H2,1H3,(H,26,27)(H,28,29)/t19-,20+,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description In vitro inhibition of endothelin converting enzyme.				Bioorg Med Chem Lett 12: 2001-5 (2002) BindingDB Entry DOI: 10.7270/Q27080S4
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM21643 (CGS-31,447 | [3-(naphthalen-1-yl)-1-{[(1S)-2-(4-ph...) Show SMILES OP(O)(=O)C(CCc1cccc2ccccc12)N[C@@H](Cc1ccc(cc1)-c1ccccc1)c1nnn[nH]1 |r| 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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	10.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS					Assay Description ECE activity was performed in black 96-well microplates with recombinant human ECE-1c (hECE-1c). The hECE-1c was preincubated with or without increa...				J Med Chem 45: 1477-86 (2002) Article DOI: 10.1021/jm0005454 BindingDB Entry DOI: 10.7270/Q2T72FQ1
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50303322 ((2S)-2-({3-[Hydroxyl(2-phenyl-(1R)-1-{[(benzyloxy)...) Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cc(no1)-c1ccccc1)CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C40H39N4O8P/c45-38(42-36(39(46)47)22-30-24-41-34-19-11-10-18-33(30)34)31(21-32-23-35(44-52-32)29-16-8-3-9-17-29)26-53(49,50)37(20-27-12-4-1-5-13-27)43-40(48)51-25-28-14-6-2-7-15-28/h1-19,23-24,31,36-37,41H,20-22,25-26H2,(H,42,45)(H,43,48)(H,46,47)(H,49,50)/t31-,36+,37-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50303320 ((S)-2-[(R)-3-[((R)-1-Benzyloxycarbonylamino-2-phen...) Show SMILES OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1cc(no1)-c1ccccc1)CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C38H38N3O9P/c42-31-18-16-27(17-19-31)20-34(37(44)45)39-36(43)30(22-32-23-33(41-50-32)29-14-8-3-9-15-29)25-51(47,48)35(21-26-10-4-1-5-11-26)40-38(46)49-24-28-12-6-2-7-13-28/h1-19,23,30,34-35,42H,20-22,24-25H2,(H,39,43)(H,40,46)(H,44,45)(H,47,48)/t30-,34-,35+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50115843 ((2S)-2-[(2R)-2-[(1R)-5-bromo-2,3-dihydro-1H-inden-...) Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)[C@H]1CCc2cc(Br)ccc12 Show InChI InChI=1S/C23H23BrN2O3S/c24-15-6-8-16-13(9-15)5-7-18(16)19(12-30)22(27)26-21(23(28)29)10-14-11-25-20-4-2-1-3-17(14)20/h1-4,6,8-9,11,18-19,21,25,30H,5,7,10,12H2,(H,26,27)(H,28,29)/t18-,19+,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description In vitro inhibition of endothelin converting enzyme.				Bioorg Med Chem Lett 12: 2001-5 (2002) BindingDB Entry DOI: 10.7270/Q27080S4
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50115841 (3-(1H-Indol-3-yl)-2-[3-mercapto-2-(5-methoxy-indan...) Show SMILES COc1ccc2C(CCc2c1)C(CS)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C24H26N2O4S/c1-30-16-7-9-17-14(10-16)6-8-19(17)20(13-31)23(27)26-22(24(28)29)11-15-12-25-21-5-3-2-4-18(15)21/h2-5,7,9-10,12,19-20,22,25,31H,6,8,11,13H2,1H3,(H,26,27)(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description In vitro inhibition of endothelin converting enzyme.				Bioorg Med Chem Lett 12: 2001-5 (2002) BindingDB Entry DOI: 10.7270/Q27080S4
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM21653 ((2S)-2-[(2R)-2-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-...) Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)[C@H]1CCc2ccccc12 |r| Show InChI InChI=1S/C23H24N2O3S/c26-22(19(13-29)18-10-9-14-5-1-2-6-16(14)18)25-21(23(27)28)11-15-12-24-20-8-4-3-7-17(15)20/h1-8,12,18-19,21,24,29H,9-11,13H2,(H,25,26)(H,27,28)/t18-,19+,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS					Assay Description ECE activity was performed in black 96-well microplates with recombinant human ECE-1c (hECE-1c). The hECE-1c was preincubated with or without increa...				J Med Chem 45: 1477-86 (2002) Article DOI: 10.1021/jm0005454 BindingDB Entry DOI: 10.7270/Q2T72FQ1
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM21653 ((2S)-2-[(2R)-2-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-...) Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)[C@H]1CCc2ccccc12 |r| Show InChI InChI=1S/C23H24N2O3S/c26-22(19(13-29)18-10-9-14-5-1-2-6-16(14)18)25-21(23(27)28)11-15-12-24-20-8-4-3-7-17(15)20/h1-8,12,18-19,21,24,29H,9-11,13H2,(H,25,26)(H,27,28)/t18-,19+,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description In vitro inhibition of endothelin converting enzyme.				Bioorg Med Chem Lett 12: 2001-5 (2002) BindingDB Entry DOI: 10.7270/Q27080S4
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50303322 ((2S)-2-({3-[Hydroxyl(2-phenyl-(1R)-1-{[(benzyloxy)...) Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cc(no1)-c1ccccc1)CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C40H39N4O8P/c45-38(42-36(39(46)47)22-30-24-41-34-19-11-10-18-33(30)34)31(21-32-23-35(44-52-32)29-16-8-3-9-17-29)26-53(49,50)37(20-27-12-4-1-5-13-27)43-40(48)51-25-28-14-6-2-7-15-28/h1-19,23-24,31,36-37,41H,20-22,25-26H2,(H,42,45)(H,43,48)(H,46,47)(H,49,50)/t31-,36+,37-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50115840 ((S)-2-[(S)-2-(5-Bromo-indan-1-yl)-3-mercapto-propi...) Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CS)[C@H]1CCc2cc(Br)ccc12 Show InChI InChI=1S/C23H23BrN2O3S/c24-15-6-8-16-13(9-15)5-7-18(16)19(12-30)22(27)26-21(23(28)29)10-14-11-25-20-4-2-1-3-17(14)20/h1-4,6,8-9,11,18-19,21,25,30H,5,7,10,12H2,(H,26,27)(H,28,29)/t18-,19-,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description In vitro inhibition of endothelin converting enzyme.				Bioorg Med Chem Lett 12: 2001-5 (2002) BindingDB Entry DOI: 10.7270/Q27080S4
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50115845 (2-[2-(5-Bromo-indan-1-yl)-3-mercapto-propionylamin...) Show SMILES OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CS)C1CCc2cc(Br)ccc12 Show InChI InChI=1S/C23H23BrN2O3S/c24-15-6-8-16-13(9-15)5-7-18(16)19(12-30)22(27)26-21(23(28)29)10-14-11-25-20-4-2-1-3-17(14)20/h1-4,6,8-9,11,18-19,21,25,30H,5,7,10,12H2,(H,26,27)(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description In vitro inhibition of endothelin converting enzyme.				Bioorg Med Chem Lett 12: 2001-5 (2002) BindingDB Entry DOI: 10.7270/Q27080S4
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50115849 (3-(1H-Indol-3-yl)-2-[3-mercapto-2-(5-methylsulfany...) Show SMILES CSc1ccc2C(CCc2c1)C(CS)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C24H26N2O3S2/c1-31-16-7-9-17-14(10-16)6-8-19(17)20(13-30)23(27)26-22(24(28)29)11-15-12-25-21-5-3-2-4-18(15)21/h2-5,7,9-10,12,19-20,22,25,30H,6,8,11,13H2,1H3,(H,26,27)(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description In vitro inhibition of endothelin converting enzyme.				Bioorg Med Chem Lett 12: 2001-5 (2002) BindingDB Entry DOI: 10.7270/Q27080S4
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50115838 (2-[2-(5-Ethoxy-indan-1-yl)-3-mercapto-propionylami...) Show SMILES CCOc1ccc2C(CCc2c1)C(CS)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C25H28N2O4S/c1-2-31-17-8-10-18-15(11-17)7-9-20(18)21(14-32)24(28)27-23(25(29)30)12-16-13-26-22-6-4-3-5-19(16)22/h3-6,8,10-11,13,20-21,23,26,32H,2,7,9,12,14H2,1H3,(H,27,28)(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description In vitro inhibition of endothelin converting enzyme.				Bioorg Med Chem Lett 12: 2001-5 (2002) BindingDB Entry DOI: 10.7270/Q27080S4
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50115835 (3-(1H-Indol-3-yl)-2-[3-mercapto-2-(6-methoxy-indan...) Show SMILES COc1ccc2CCC(C(CS)C(=O)NC(Cc3c[nH]c4ccccc34)C(O)=O)c2c1 Show InChI InChI=1S/C24H26N2O4S/c1-30-16-8-6-14-7-9-18(19(14)11-16)20(13-31)23(27)26-22(24(28)29)10-15-12-25-21-5-3-2-4-17(15)21/h2-6,8,11-12,18,20,22,25,31H,7,9-10,13H2,1H3,(H,26,27)(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description In vitro inhibition of endothelin converting enzyme.				Bioorg Med Chem Lett 12: 2001-5 (2002) BindingDB Entry DOI: 10.7270/Q27080S4
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50115847 ((2S)-2-[(2R)-2-[(1S)-5-bromo-2,3-dihydro-1H-inden-...) Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)[C@@H]1CCc2cc(Br)ccc12 Show InChI InChI=1S/C23H23BrN2O3S/c24-15-6-8-16-13(9-15)5-7-18(16)19(12-30)22(27)26-21(23(28)29)10-14-11-25-20-4-2-1-3-17(14)20/h1-4,6,8-9,11,18-19,21,25,30H,5,7,10,12H2,(H,26,27)(H,28,29)/t18-,19-,21+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description In vitro inhibition of endothelin converting enzyme.				Bioorg Med Chem Lett 12: 2001-5 (2002) BindingDB Entry DOI: 10.7270/Q27080S4
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50115839 (2-[2-(5-Hydroxy-indan-1-yl)-3-mercapto-propionylam...) Show SMILES OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CS)C1CCc2cc(O)ccc12 Show InChI InChI=1S/C23H24N2O4S/c26-15-6-8-16-13(9-15)5-7-18(16)19(12-30)22(27)25-21(23(28)29)10-14-11-24-20-4-2-1-3-17(14)20/h1-4,6,8-9,11,18-19,21,24,26,30H,5,7,10,12H2,(H,25,27)(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description In vitro inhibition of endothelin converting enzyme.				Bioorg Med Chem Lett 12: 2001-5 (2002) BindingDB Entry DOI: 10.7270/Q27080S4
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50115842 (2-(2-Indan-1-yl-3-mercapto-propionylamino)-3-(1H-i...) Show SMILES OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CS)C1CCc2ccccc12 Show InChI InChI=1S/C23H24N2O3S/c26-22(19(13-29)18-10-9-14-5-1-2-6-16(14)18)25-21(23(27)28)11-15-12-24-20-8-4-3-7-17(15)20/h1-8,12,18-19,21,24,29H,9-11,13H2,(H,25,26)(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description In vitro inhibition of endothelin converting enzyme.				Bioorg Med Chem Lett 12: 2001-5 (2002) BindingDB Entry DOI: 10.7270/Q27080S4
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM21644 ((2S)-3-(1H-indol-3-yl)-2-[(2S,3S)-3-phenyl-2-(sulf...) Show SMILES C[C@@H]([C@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C22H24N2O3S/c1-14(15-7-3-2-4-8-15)18(13-28)21(25)24-20(22(26)27)11-16-12-23-19-10-6-5-9-17(16)19/h2-10,12,14,18,20,23,28H,11,13H2,1H3,(H,24,25)(H,26,27)/t14-,18+,20+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS					Assay Description ECE activity was performed in black 96-well microplates with recombinant human ECE-1c (hECE-1c). The hECE-1c was preincubated with or without increa...				J Med Chem 45: 1477-86 (2002) Article DOI: 10.1021/jm0005454 BindingDB Entry DOI: 10.7270/Q2T72FQ1
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM21639 ((2S)-2-[2-(2,3-dihydro-1H-inden-1-yl)-3-sulfanylpr...) Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(CS)C1CCc2ccccc12 |r| Show InChI InChI=1S/C23H24N2O3S/c26-22(19(13-29)18-10-9-14-5-1-2-6-16(14)18)25-21(23(27)28)11-15-12-24-20-8-4-3-7-17(15)20/h1-8,12,18-19,21,24,29H,9-11,13H2,(H,25,26)(H,27,28)/t18?,19?,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS					Assay Description ECE activity was performed in black 96-well microplates with recombinant human ECE-1c (hECE-1c). The hECE-1c was preincubated with or without increa...				J Med Chem 45: 1477-86 (2002) Article DOI: 10.1021/jm0005454 BindingDB Entry DOI: 10.7270/Q2T72FQ1
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50115850 ((S)-3-(1H-Indol-3-yl)-2-[(S)-3-mercapto-2-((R)-5-m...) Show SMILES COc1ccc2[C@H](CCc2c1)[C@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C24H26N2O4S/c1-30-16-7-9-17-14(10-16)6-8-19(17)20(13-31)23(27)26-22(24(28)29)11-15-12-25-21-5-3-2-4-18(15)21/h2-5,7,9-10,12,19-20,22,25,31H,6,8,11,13H2,1H3,(H,26,27)(H,28,29)/t19-,20-,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description In vitro inhibition of endothelin converting enzyme.				Bioorg Med Chem Lett 12: 2001-5 (2002) BindingDB Entry DOI: 10.7270/Q27080S4
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50115851 ((S)-2-[(S)-2-((S)-5-Bromo-indan-1-yl)-3-mercapto-p...) Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CS)[C@@H]1CCc2cc(Br)ccc12 Show InChI InChI=1S/C23H23BrN2O3S/c24-15-6-8-16-13(9-15)5-7-18(16)19(12-30)22(27)26-21(23(28)29)10-14-11-25-20-4-2-1-3-17(14)20/h1-4,6,8-9,11,18-19,21,25,30H,5,7,10,12H2,(H,26,27)(H,28,29)/t18-,19+,21+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description In vitro inhibition of endothelin converting enzyme.				Bioorg Med Chem Lett 12: 2001-5 (2002) BindingDB Entry DOI: 10.7270/Q27080S4
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM21648 ((2S)-3-(1H-indol-3-yl)-2-[(2S,3S)-3-(4-phenylpheny...) Show SMILES C[C@@H]([C@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C28H28N2O3S/c1-18(19-11-13-21(14-12-19)20-7-3-2-4-8-20)24(17-34)27(31)30-26(28(32)33)15-22-16-29-25-10-6-5-9-23(22)25/h2-14,16,18,24,26,29,34H,15,17H2,1H3,(H,30,31)(H,32,33)/t18-,24+,26+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS					Assay Description ECE activity was performed in black 96-well microplates with recombinant human ECE-1c (hECE-1c). The hECE-1c was preincubated with or without increa...				J Med Chem 45: 1477-86 (2002) Article DOI: 10.1021/jm0005454 BindingDB Entry DOI: 10.7270/Q2T72FQ1
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM21649 ((2S)-3-(1H-indol-3-yl)-2-[(2R,3R)-3-(4-phenylpheny...) Show SMILES C[C@H]([C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C28H28N2O3S/c1-18(19-11-13-21(14-12-19)20-7-3-2-4-8-20)24(17-34)27(31)30-26(28(32)33)15-22-16-29-25-10-6-5-9-23(22)25/h2-14,16,18,24,26,29,34H,15,17H2,1H3,(H,30,31)(H,32,33)/t18-,24+,26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	135	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS					Assay Description ECE activity was performed in black 96-well microplates with recombinant human ECE-1c (hECE-1c). The hECE-1c was preincubated with or without increa...				J Med Chem 45: 1477-86 (2002) Article DOI: 10.1021/jm0005454 BindingDB Entry DOI: 10.7270/Q2T72FQ1
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50115834 (3-(1H-Indol-3-yl)-2-[3-mercapto-2-(5-phenyl-indan-...) Show SMILES OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CS)C1CCc2cc(ccc12)-c1ccccc1 Show InChI InChI=1S/C29H28N2O3S/c32-28(31-27(29(33)34)15-21-16-30-26-9-5-4-8-23(21)26)25(17-35)24-13-11-20-14-19(10-12-22(20)24)18-6-2-1-3-7-18/h1-10,12,14,16,24-25,27,30,35H,11,13,15,17H2,(H,31,32)(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description In vitro inhibition of endothelin converting enzyme.				Bioorg Med Chem Lett 12: 2001-5 (2002) BindingDB Entry DOI: 10.7270/Q27080S4
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50115848 ((S)-3-(1H-Indol-3-yl)-2-[(R)-3-mercapto-2-((S)-5-m...) Show SMILES COc1ccc2[C@@H](CCc2c1)[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C24H26N2O4S/c1-30-16-7-9-17-14(10-16)6-8-19(17)20(13-31)23(27)26-22(24(28)29)11-15-12-25-21-5-3-2-4-18(15)21/h2-5,7,9-10,12,19-20,22,25,31H,6,8,11,13H2,1H3,(H,26,27)(H,28,29)/t19-,20-,22+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description In vitro inhibition of endothelin converting enzyme.				Bioorg Med Chem Lett 12: 2001-5 (2002) BindingDB Entry DOI: 10.7270/Q27080S4
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM21651 ((2S)-3-(1H-indol-3-yl)-2-[(2R,3S)-3-(4-phenylpheny...) Show SMILES C[C@@H]([C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C28H28N2O3S/c1-18(19-11-13-21(14-12-19)20-7-3-2-4-8-20)24(17-34)27(31)30-26(28(32)33)15-22-16-29-25-10-6-5-9-23(22)25/h2-14,16,18,24,26,29,34H,15,17H2,1H3,(H,30,31)(H,32,33)/t18-,24-,26+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS					Assay Description ECE activity was performed in black 96-well microplates with recombinant human ECE-1c (hECE-1c). The hECE-1c was preincubated with or without increa...				J Med Chem 45: 1477-86 (2002) Article DOI: 10.1021/jm0005454 BindingDB Entry DOI: 10.7270/Q2T72FQ1
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM21658 ((2S)-3-(1H-indol-3-yl)-2-[(2S)-3-sulfanyl-2-[(1R)-...) Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CS)[C@H]1CCCc2ccccc12 |r| Show InChI InChI=1S/C24H26N2O3S/c27-23(20(14-30)19-10-5-7-15-6-1-2-8-17(15)19)26-22(24(28)29)12-16-13-25-21-11-4-3-9-18(16)21/h1-4,6,8-9,11,13,19-20,22,25,30H,5,7,10,12,14H2,(H,26,27)(H,28,29)/t19-,20-,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS					Assay Description ECE activity was performed in black 96-well microplates with recombinant human ECE-1c (hECE-1c). The hECE-1c was preincubated with or without increa...				J Med Chem 45: 1477-86 (2002) Article DOI: 10.1021/jm0005454 BindingDB Entry DOI: 10.7270/Q2T72FQ1
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM21645 ((2S)-3-(1H-indol-3-yl)-2-[(2R,3R)-3-phenyl-2-(sulf...) Show SMILES C[C@H]([C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C22H24N2O3S/c1-14(15-7-3-2-4-8-15)18(13-28)21(25)24-20(22(26)27)11-16-12-23-19-10-6-5-9-17(16)19/h2-10,12,14,18,20,23,28H,11,13H2,1H3,(H,24,25)(H,26,27)/t14-,18+,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS					Assay Description ECE activity was performed in black 96-well microplates with recombinant human ECE-1c (hECE-1c). The hECE-1c was preincubated with or without increa...				J Med Chem 45: 1477-86 (2002) Article DOI: 10.1021/jm0005454 BindingDB Entry DOI: 10.7270/Q2T72FQ1
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50115837 (2-[2-(5-Cyano-indan-1-yl)-3-mercapto-propionylamin...) Show SMILES OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CS)C1CCc2cc(ccc12)C#N Show InChI InChI=1S/C24H23N3O3S/c25-11-14-5-7-17-15(9-14)6-8-19(17)20(13-31)23(28)27-22(24(29)30)10-16-12-26-21-4-2-1-3-18(16)21/h1-5,7,9,12,19-20,22,26,31H,6,8,10,13H2,(H,27,28)(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description In vitro inhibition of endothelin converting enzyme.				Bioorg Med Chem Lett 12: 2001-5 (2002) BindingDB Entry DOI: 10.7270/Q27080S4
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM21636 ((2S)-3-(1H-indol-3-yl)-2-[3-(4-phenylphenyl)-2-(su...) Show SMILES CC(C(CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C28H28N2O3S/c1-18(19-11-13-21(14-12-19)20-7-3-2-4-8-20)24(17-34)27(31)30-26(28(32)33)15-22-16-29-25-10-6-5-9-23(22)25/h2-14,16,18,24,26,29,34H,15,17H2,1H3,(H,30,31)(H,32,33)/t18?,24?,26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS					Assay Description ECE activity was performed in black 96-well microplates with recombinant human ECE-1c (hECE-1c). The hECE-1c was preincubated with or without increa...				J Med Chem 45: 1477-86 (2002) Article DOI: 10.1021/jm0005454 BindingDB Entry DOI: 10.7270/Q2T72FQ1
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50303321 ((2S)-2-({3-[Hydroxyl(2-phenyl-(1R)-1-{[(benzyloxy)...) Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cc(no1)-c1ccccc1)CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C38H38N3O8P/c42-36(39-34(37(43)44)21-27-13-5-1-6-14-27)31(23-32-24-33(41-49-32)30-19-11-4-12-20-30)26-50(46,47)35(22-28-15-7-2-8-16-28)40-38(45)48-25-29-17-9-3-10-18-29/h1-20,24,31,34-35H,21-23,25-26H2,(H,39,42)(H,40,45)(H,43,44)(H,46,47)/t31-,34+,35-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM21657 ((2S)-3-(1H-indol-3-yl)-2-[(2R)-3-sulfanyl-2-[(1R)-...) Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)[C@H]1CCCc2ccccc12 |r| Show InChI InChI=1S/C24H26N2O3S/c27-23(20(14-30)19-10-5-7-15-6-1-2-8-17(15)19)26-22(24(28)29)12-16-13-25-21-11-4-3-9-18(16)21/h1-4,6,8-9,11,13,19-20,22,25,30H,5,7,10,12,14H2,(H,26,27)(H,28,29)/t19-,20+,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS					Assay Description ECE activity was performed in black 96-well microplates with recombinant human ECE-1c (hECE-1c). The hECE-1c was preincubated with or without increa...				J Med Chem 45: 1477-86 (2002) Article DOI: 10.1021/jm0005454 BindingDB Entry DOI: 10.7270/Q2T72FQ1
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50303319 ((S)-2-[(S)-3-[((R)-1-Benzyloxycarbonylamino-2-phen...) Show SMILES OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cc(no1)-c1ccccc1)CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C38H38N3O9P/c42-31-18-16-27(17-19-31)20-34(37(44)45)39-36(43)30(22-32-23-33(41-50-32)29-14-8-3-9-15-29)25-51(47,48)35(21-26-10-4-1-5-11-26)40-38(46)49-24-28-12-6-2-7-13-28/h1-19,23,30,34-35,42H,20-22,24-25H2,(H,39,43)(H,40,46)(H,44,45)(H,47,48)/t30-,34+,35-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	275	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM21654 ((2S)-2-[(2S)-2-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-...) Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CS)[C@H]1CCc2ccccc12 |r| Show InChI InChI=1S/C23H24N2O3S/c26-22(19(13-29)18-10-9-14-5-1-2-6-16(14)18)25-21(23(27)28)11-15-12-24-20-8-4-3-7-17(15)20/h1-8,12,18-19,21,24,29H,9-11,13H2,(H,25,26)(H,27,28)/t18-,19-,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS					Assay Description ECE activity was performed in black 96-well microplates with recombinant human ECE-1c (hECE-1c). The hECE-1c was preincubated with or without increa...				J Med Chem 45: 1477-86 (2002) Article DOI: 10.1021/jm0005454 BindingDB Entry DOI: 10.7270/Q2T72FQ1
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM21640 ((2S)-3-(1H-indol-3-yl)-2-[3-sulfanyl-2-(1,2,3,4-te...) Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(CS)C1CCCc2ccccc12 |r| Show InChI InChI=1S/C24H26N2O3S/c27-23(20(14-30)19-10-5-7-15-6-1-2-8-17(15)19)26-22(24(28)29)12-16-13-25-21-11-4-3-9-18(16)21/h1-4,6,8-9,11,13,19-20,22,25,30H,5,7,10,12,14H2,(H,26,27)(H,28,29)/t19?,20?,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS					Assay Description ECE activity was performed in black 96-well microplates with recombinant human ECE-1c (hECE-1c). The hECE-1c was preincubated with or without increa...				J Med Chem 45: 1477-86 (2002) Article DOI: 10.1021/jm0005454 BindingDB Entry DOI: 10.7270/Q2T72FQ1
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM21635 ((2S)-3-(1H-indol-3-yl)-2-[3-phenyl-2-(sulfanylmeth...) Show SMILES CC(C(CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C22H24N2O3S/c1-14(15-7-3-2-4-8-15)18(13-28)21(25)24-20(22(26)27)11-16-12-23-19-10-6-5-9-17(16)19/h2-10,12,14,18,20,23,28H,11,13H2,1H3,(H,24,25)(H,26,27)/t14?,18?,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS					Assay Description ECE activity was performed in black 96-well microplates with recombinant human ECE-1c (hECE-1c). The hECE-1c was preincubated with or without increa...				J Med Chem 45: 1477-86 (2002) Article DOI: 10.1021/jm0005454 BindingDB Entry DOI: 10.7270/Q2T72FQ1
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50115852 (2-[2-(5-Dimethylamino-indan-1-yl)-3-mercapto-propi...) Show SMILES CN(C)c1ccc2C(CCc2c1)C(CS)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C25H29N3O3S/c1-28(2)17-8-10-18-15(11-17)7-9-20(18)21(14-32)24(29)27-23(25(30)31)12-16-13-26-22-6-4-3-5-19(16)22/h3-6,8,10-11,13,20-21,23,26,32H,7,9,12,14H2,1-2H3,(H,27,29)(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description In vitro inhibition of endothelin converting enzyme.				Bioorg Med Chem Lett 12: 2001-5 (2002) BindingDB Entry DOI: 10.7270/Q27080S4
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50115833 (2-[2-(5,6-Dimethoxy-indan-1-yl)-3-mercapto-propion...) Show SMILES COc1cc2CCC(C(CS)C(=O)NC(Cc3c[nH]c4ccccc34)C(O)=O)c2cc1OC Show InChI InChI=1S/C25H28N2O5S/c1-31-22-10-14-7-8-17(18(14)11-23(22)32-2)19(13-33)24(28)27-21(25(29)30)9-15-12-26-20-6-4-3-5-16(15)20/h3-6,10-12,17,19,21,26,33H,7-9,13H2,1-2H3,(H,27,28)(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description In vitro inhibition of endothelin converting enzyme.				Bioorg Med Chem Lett 12: 2001-5 (2002) BindingDB Entry DOI: 10.7270/Q27080S4
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM21647 ((2S)-3-(1H-indol-3-yl)-2-[(2R,3S)-3-phenyl-2-(sulf...) Show SMILES C[C@@H]([C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C22H24N2O3S/c1-14(15-7-3-2-4-8-15)18(13-28)21(25)24-20(22(26)27)11-16-12-23-19-10-6-5-9-17(16)19/h2-10,12,14,18,20,23,28H,11,13H2,1H3,(H,24,25)(H,26,27)/t14-,18-,20+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS					Assay Description ECE activity was performed in black 96-well microplates with recombinant human ECE-1c (hECE-1c). The hECE-1c was preincubated with or without increa...				J Med Chem 45: 1477-86 (2002) Article DOI: 10.1021/jm0005454 BindingDB Entry DOI: 10.7270/Q2T72FQ1
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM21638 ((2S)-3-(1H-indol-3-yl)-2-[3-(naphthalen-1-yl)-2-(s...) Show SMILES CC(C(CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)c1cccc2ccccc12 |r| Show InChI InChI=1S/C26H26N2O3S/c1-16(19-11-6-8-17-7-2-3-9-20(17)19)22(15-32)25(29)28-24(26(30)31)13-18-14-27-23-12-5-4-10-21(18)23/h2-12,14,16,22,24,27,32H,13,15H2,1H3,(H,28,29)(H,30,31)/t16?,22?,24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS					Assay Description ECE activity was performed in black 96-well microplates with recombinant human ECE-1c (hECE-1c). The hECE-1c was preincubated with or without increa...				J Med Chem 45: 1477-86 (2002) Article DOI: 10.1021/jm0005454 BindingDB Entry DOI: 10.7270/Q2T72FQ1
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM21656 ((2S)-3-(1H-indol-3-yl)-2-[(2S)-3-sulfanyl-2-[(1S)-...) Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CS)[C@@H]1CCCc2ccccc12 |r| Show InChI InChI=1S/C24H26N2O3S/c27-23(20(14-30)19-10-5-7-15-6-1-2-8-17(15)19)26-22(24(28)29)12-16-13-25-21-11-4-3-9-18(16)21/h1-4,6,8-9,11,13,19-20,22,25,30H,5,7,10,12,14H2,(H,26,27)(H,28,29)/t19-,20+,22+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS					Assay Description ECE activity was performed in black 96-well microplates with recombinant human ECE-1c (hECE-1c). The hECE-1c was preincubated with or without increa...				J Med Chem 45: 1477-86 (2002) Article DOI: 10.1021/jm0005454 BindingDB Entry DOI: 10.7270/Q2T72FQ1
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM21655 ((2S)-2-[(2R)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-...) Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)[C@@H]1CCc2ccccc12 |r| Show InChI InChI=1S/C23H24N2O3S/c26-22(19(13-29)18-10-9-14-5-1-2-6-16(14)18)25-21(23(27)28)11-15-12-24-20-8-4-3-7-17(15)20/h1-8,12,18-19,21,24,29H,9-11,13H2,(H,25,26)(H,27,28)/t18-,19-,21+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS					Assay Description ECE activity was performed in black 96-well microplates with recombinant human ECE-1c (hECE-1c). The hECE-1c was preincubated with or without increa...				J Med Chem 45: 1477-86 (2002) Article DOI: 10.1021/jm0005454 BindingDB Entry DOI: 10.7270/Q2T72FQ1
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50115836 (3-(1H-Indol-3-yl)-2-[3-mercapto-2-(4-methoxy-indan...) Show SMILES COc1cccc2C(CCc12)C(CS)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C24H26N2O4S/c1-30-22-8-4-6-16-17(9-10-18(16)22)19(13-31)23(27)26-21(24(28)29)11-14-12-25-20-7-3-2-5-15(14)20/h2-8,12,17,19,21,25,31H,9-11,13H2,1H3,(H,26,27)(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description In vitro inhibition of endothelin converting enzyme.				Bioorg Med Chem Lett 12: 2001-5 (2002) BindingDB Entry DOI: 10.7270/Q27080S4
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM21646 ((2S)-3-(1H-indol-3-yl)-2-[(2S,3R)-3-phenyl-2-(sulf...) Show SMILES C[C@H]([C@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C22H24N2O3S/c1-14(15-7-3-2-4-8-15)18(13-28)21(25)24-20(22(26)27)11-16-12-23-19-10-6-5-9-17(16)19/h2-10,12,14,18,20,23,28H,11,13H2,1H3,(H,24,25)(H,26,27)/t14-,18-,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS					Assay Description ECE activity was performed in black 96-well microplates with recombinant human ECE-1c (hECE-1c). The hECE-1c was preincubated with or without increa...				J Med Chem 45: 1477-86 (2002) Article DOI: 10.1021/jm0005454 BindingDB Entry DOI: 10.7270/Q2T72FQ1
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM21632 ((2S)-3-(1H-indol-3-yl)-2-[2-(3-phenylphenyl)-3-sul...) Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(CS)c1cccc(c1)-c1ccccc1 |r| Show InChI InChI=1S/C26H24N2O3S/c29-25(22(16-32)19-10-6-9-18(13-19)17-7-2-1-3-8-17)28-24(26(30)31)14-20-15-27-23-12-5-4-11-21(20)23/h1-13,15,22,24,27,32H,14,16H2,(H,28,29)(H,30,31)/t22?,24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS					Assay Description ECE activity was performed in black 96-well microplates with recombinant human ECE-1c (hECE-1c). The hECE-1c was preincubated with or without increa...				J Med Chem 45: 1477-86 (2002) Article DOI: 10.1021/jm0005454 BindingDB Entry DOI: 10.7270/Q2T72FQ1
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50303324 ((2S)-2-{[3-(4',5'-Dihydro-3'-phenyl-5'-isoxazolyl)...) Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(CC1CC(=NO1)c1ccccc1)CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r,c:23| Show InChI InChI=1S/C40H41N4O8P/c45-38(42-36(39(46)47)22-30-24-41-34-19-11-10-18-33(30)34)31(21-32-23-35(44-52-32)29-16-8-3-9-17-29)26-53(49,50)37(20-27-12-4-1-5-13-27)43-40(48)51-25-28-14-6-2-7-15-28/h1-19,24,31-32,36-37,41H,20-23,25-26H2,(H,42,45)(H,43,48)(H,46,47)(H,49,50)/t31?,32?,36-,37+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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

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