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Compile Data Set for Download or QSAR

Found 464 hits with Last Name = 'ota' and Initial = 'n'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Glutamyl aminopeptidase


(Homo sapiens (Human))		BDBM50083386
PNG
(1-{[1-(2,3-Dicarboxy-pyrrolidine-1-carbonyl)-2-met...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCS([O-])(=O)=O)C(=O)N1CCC([C@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C17H29N3O9S2/c1-3-8(2)11(19-14(21)13(30)10(18)5-7-31(27,28)29)15(22)20-6-4-9(16(23)24)12(20)17(25)26/h8-13,30H,3-7,18H2,1-2H3,(H,19,21)(H,23,24)(H,25,26)(H,27,28,29)/t8-,9?,10-,11+,12+,13-/m1/s1
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 0.873n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A

J Med Chem 42: 5197-211 (2000)


BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))		BDBM50068901
PNG
(3-[2,2-Difluoro-4-({(S)-1-[(S)-3-methyl-2-(3-pheny...)
Show SMILES CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(c1)C(O)=O
Show InChI InChI=1S/C37H40F2N4O7/c1-23(2)31(42-30(44)19-18-24-11-5-3-6-12-24)34(47)43-20-10-17-29(43)33(46)41-28(21-25-13-7-4-8-14-25)32(45)37(38,39)36(50)40-27-16-9-15-26(22-27)35(48)49/h3-9,11-16,22-23,28-29,31H,10,17-21H2,1-2H3,(H,40,50)(H,41,46)(H,42,44)(H,48,49)/t28?,29-,31-/m0/s1
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 1.30n/an/an/an/an/an/an/an/a



Green Cross Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human heart chymase (HHC)

Bioorg Med Chem Lett 8: 913-8 (1999)


BindingDB Entry DOI: 10.7270/Q2GQ6WXB
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))		BDBM50068918
PNG
((S)-4-((2S,3S)-2-Benzyloxycarbonylamino-3-methyl-p...)
Show SMILES CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)OC
Show InChI InChI=1S/C34H44N4O9/c1-4-22(2)29(37-34(45)47-21-24-14-9-6-10-15-24)31(42)35-25(17-18-28(39)40)32(43)38-19-11-16-27(38)30(41)36-26(33(44)46-3)20-23-12-7-5-8-13-23/h5-10,12-15,22,25-27,29H,4,11,16-21H2,1-3H3,(H,35,42)(H,36,41)(H,37,45)(H,39,40)/t22-,25-,26-,27-,29-/m0/s1
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 3n/an/an/an/an/an/an/an/a



Green Cross Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human heart chymase (HHC)

Bioorg Med Chem Lett 8: 919-24 (1999)


BindingDB Entry DOI: 10.7270/Q2BZ656D
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))		BDBM50068899
PNG
(3-(4-{[(S)-1-((S)-2-Benzoylamino-3-methyl-butyryl)...)
Show SMILES CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(c1)C(O)=O
Show InChI InChI=1S/C35H36F2N4O7/c1-21(2)28(40-30(43)23-13-7-4-8-14-23)32(45)41-18-10-17-27(41)31(44)39-26(19-22-11-5-3-6-12-22)29(42)35(36,37)34(48)38-25-16-9-15-24(20-25)33(46)47/h3-9,11-16,20-21,26-28H,10,17-19H2,1-2H3,(H,38,48)(H,39,44)(H,40,43)(H,46,47)/t26?,27-,28-/m0/s1
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 3.10n/an/an/an/an/an/an/an/a



Green Cross Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human heart chymase (HHC)

Bioorg Med Chem Lett 8: 913-8 (1999)


BindingDB Entry DOI: 10.7270/Q2GQ6WXB
More data for this
Ligand-Target Pair
Glutamyl aminopeptidase


(Homo sapiens (Human))		BDBM50083394
PNG
(1-{[1-(1,2-Dicarboxy-ethylcarbamoyl)-2-methyl-buty...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCS([O-])(=O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C15H27N3O9S2/c1-3-7(2)11(13(21)17-9(15(23)24)6-10(19)20)18-14(22)12(28)8(16)4-5-29(25,26)27/h7-9,11-12,28H,3-6,16H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)(H,23,24)(H,25,26,27)/t7-,8-,9+,11+,12-/m1/s1
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 3.20n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A

J Med Chem 42: 5197-211 (2000)


BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Glutamyl aminopeptidase


(Homo sapiens (Human))		BDBM50083376
PNG
(3-Carboxy-1-{[1-(1,2-dicarboxy-ethylcarbamoyl)-2-m...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCC([O-])=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C16H27N3O8S/c1-3-7(2)12(14(24)18-9(16(26)27)6-11(22)23)19-15(25)13(28)8(17)4-5-10(20)21/h7-9,12-13,28H,3-6,17H2,1-2H3,(H,18,24)(H,19,25)(H,20,21)(H,22,23)(H,26,27)/t7-,8-,9+,12+,13-/m1/s1
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 3.60n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A

J Med Chem 42: 5197-211 (2000)


BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Glutamyl aminopeptidase


(Homo sapiens (Human))		BDBM50083378
PNG
(1-{[1-(1-Carboxy-2-sulfo-ethylcarbamoyl)-2-methyl-...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCS([O-])(=O)=O)C(=O)N[C@@H](CS(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C14H27N3O10S3/c1-3-7(2)10(12(18)16-9(14(20)21)6-30(25,26)27)17-13(19)11(28)8(15)4-5-29(22,23)24/h7-11,28H,3-6,15H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)(H,22,23,24)(H,25,26,27)/t7-,8-,9+,10+,11-/m1/s1
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 3.60n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A

J Med Chem 42: 5197-211 (2000)


BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Glutamyl aminopeptidase


(Homo sapiens (Human))		BDBM50083385
PNG
(1-{[1-(2,3-Dicarboxy-pyrrolidine-1-carbonyl)-2-met...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCS([O-])(=O)=O)C(=O)N1CCC([C@@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C17H29N3O9S2/c1-3-8(2)11(19-14(21)13(30)10(18)5-7-31(27,28)29)15(22)20-6-4-9(16(23)24)12(20)17(25)26/h8-13,30H,3-7,18H2,1-2H3,(H,19,21)(H,23,24)(H,25,26)(H,27,28,29)/t8-,9?,10-,11+,12-,13-/m1/s1
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 3.80n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A

J Med Chem 42: 5197-211 (2000)


BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))		BDBM50068919
PNG
(3-(4-{[(S)-1-(2-tert-Butoxycarbonylamino-4-carboxy...)
Show SMILES CC(C)(C)OC(=O)NC(CCC(O)=O)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(c1)C(O)=O
Show InChI InChI=1S/C33H38F2N4O10/c1-32(2,3)49-31(48)38-22(14-15-25(40)41)28(44)39-16-8-13-24(39)27(43)37-23(17-19-9-5-4-6-10-19)26(42)33(34,35)30(47)36-21-12-7-11-20(18-21)29(45)46/h4-7,9-12,18,22-24H,8,13-17H2,1-3H3,(H,36,47)(H,37,43)(H,38,48)(H,40,41)(H,45,46)/t22?,23?,24-/m0/s1
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 3.90n/an/an/an/an/an/an/an/a



Green Cross Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human heart chymase (HHC)

Bioorg Med Chem Lett 8: 919-24 (1999)


BindingDB Entry DOI: 10.7270/Q2BZ656D
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))		BDBM50083376
PNG
(3-Carboxy-1-{[1-(1,2-dicarboxy-ethylcarbamoyl)-2-m...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCC([O-])=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C16H27N3O8S/c1-3-7(2)12(14(24)18-9(16(26)27)6-11(22)23)19-15(25)13(28)8(17)4-5-10(20)21/h7-9,12-13,28H,3-6,17H2,1-2H3,(H,18,24)(H,19,25)(H,20,21)(H,22,23)(H,26,27)/t7-,8-,9+,12+,13-/m1/s1
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 4n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against NEP from rabbit kidney(neutral endopeptidase)

J Med Chem 42: 5197-211 (2000)


BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Glutamyl aminopeptidase


(Homo sapiens (Human))		BDBM50083393
PNG
(1-{[1-(1,2-Dicarboxy-ethylcarbamoyl)-2-(4-hydroxy-...)
Show SMILES [NH3+][C@H](CCS([O-])(=O)=O)[C@@H](S)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C18H25N3O10S2/c19-11(5-6-33(29,30)31)15(32)17(26)20-12(7-9-1-3-10(22)4-2-9)16(25)21-13(18(27)28)8-14(23)24/h1-4,11-13,15,22,32H,5-8,19H2,(H,20,26)(H,21,25)(H,23,24)(H,27,28)(H,29,30,31)/t11-,12+,13+,15-/m1/s1
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 4.30n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A

J Med Chem 42: 5197-211 (2000)


BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Glutamyl aminopeptidase


(Homo sapiens (Human))		BDBM50083390
PNG
(1-{[1-(1,2-Dicarboxy-ethylcarbamoyl)-2-methyl-buty...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCS([O-])(=O)=O)C(=O)N[C@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C15H27N3O9S2/c1-3-7(2)11(13(21)17-9(15(23)24)6-10(19)20)18-14(22)12(28)8(16)4-5-29(25,26)27/h7-9,11-12,28H,3-6,16H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)(H,23,24)(H,25,26,27)/t7-,8-,9-,11+,12-/m1/s1
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 5.40n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A

J Med Chem 42: 5197-211 (2000)


BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))		BDBM50083382
PNG
(1-{[1-(1,2-Dicarboxy-ethylcarbamoyl)-2-methyl-buty...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCP(O)([O-])=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C15H28N3O9PS/c1-3-7(2)11(13(21)17-9(15(23)24)6-10(19)20)18-14(22)12(29)8(16)4-5-28(25,26)27/h7-9,11-12,29H,3-6,16H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)(H,23,24)(H2,25,26,27)/t7-,8-,9+,11+,12-/m1/s1
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 5.40n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against NEP from rabbit kidney(neutral endopeptidase)

J Med Chem 42: 5197-211 (2000)


BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))		BDBM50068911
PNG
(3-(4-{[(S)-1-(2-tert-Butoxycarbonylamino-3-methyl-...)
Show SMILES CC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(c1)C(O)=O
Show InChI InChI=1S/C33H40F2N4O8/c1-19(2)25(38-31(46)47-32(3,4)5)28(42)39-16-10-15-24(39)27(41)37-23(17-20-11-7-6-8-12-20)26(40)33(34,35)30(45)36-22-14-9-13-21(18-22)29(43)44/h6-9,11-14,18-19,23-25H,10,15-17H2,1-5H3,(H,36,45)(H,37,41)(H,38,46)(H,43,44)/t23?,24-,25?/m0/s1
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 5.60n/an/an/an/an/an/an/an/a



Green Cross Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human heart chymase (HHC)

Bioorg Med Chem Lett 8: 919-24 (1999)


BindingDB Entry DOI: 10.7270/Q2BZ656D
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))		BDBM50068894
PNG
(3-(4-{[(S)-1-((S)-2-tert-Butoxycarbonylamino-3-met...)
Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(c1)C(O)=O
Show InChI InChI=1S/C33H40F2N4O8/c1-19(2)25(38-31(46)47-32(3,4)5)28(42)39-16-10-15-24(39)27(41)37-23(17-20-11-7-6-8-12-20)26(40)33(34,35)30(45)36-22-14-9-13-21(18-22)29(43)44/h6-9,11-14,18-19,23-25H,10,15-17H2,1-5H3,(H,36,45)(H,37,41)(H,38,46)(H,43,44)/t23?,24-,25-/m0/s1
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 5.60n/an/an/an/an/an/an/an/a



Green Cross Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human heart chymase (HHC)

Bioorg Med Chem Lett 8: 913-8 (1999)


BindingDB Entry DOI: 10.7270/Q2GQ6WXB
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))		BDBM50068917
PNG
(5-(4-{[(S)-1-(2-tert-Butoxycarbonylamino-4-carboxy...)
Show SMILES CC(C)(C)OC(=O)NC(CCC(O)=O)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cc(cs1)C(O)=O
Show InChI InChI=1S/C31H36F2N4O10S/c1-30(2,3)47-29(46)35-19(11-12-23(38)39)26(42)37-13-7-10-21(37)25(41)34-20(14-17-8-5-4-6-9-17)24(40)31(32,33)28(45)36-22-15-18(16-48-22)27(43)44/h4-6,8-9,15-16,19-21H,7,10-14H2,1-3H3,(H,34,41)(H,35,46)(H,36,45)(H,38,39)(H,43,44)/t19?,20?,21-/m0/s1
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 6n/an/an/an/an/an/an/an/a



Green Cross Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human heart chymase (HHC)

Bioorg Med Chem Lett 8: 919-24 (1999)


BindingDB Entry DOI: 10.7270/Q2BZ656D
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))		BDBM50068889
PNG
(3-(4-{[(S)-1-((S)-2-Benzenesulfonylamino-3-methyl-...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(c1)C(O)=O
Show InChI InChI=1S/C34H36F2N4O8S/c1-21(2)28(39-49(47,48)25-15-7-4-8-16-25)31(43)40-18-10-17-27(40)30(42)38-26(19-22-11-5-3-6-12-22)29(41)34(35,36)33(46)37-24-14-9-13-23(20-24)32(44)45/h3-9,11-16,20-21,26-28,39H,10,17-19H2,1-2H3,(H,37,46)(H,38,42)(H,44,45)/t26?,27-,28-/m0/s1
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 6.30n/an/an/an/an/an/an/an/a



Green Cross Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human heart chymase (HHC)

Bioorg Med Chem Lett 8: 913-8 (1999)


BindingDB Entry DOI: 10.7270/Q2GQ6WXB
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))		BDBM50068896
PNG
((4-{[(S)-1-((S)-2-tert-Butoxycarbonylamino-3-methy...)
Show SMILES COC(=O)CNC(=O)C(F)(F)C(=O)C(Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C
Show InChI InChI=1S/C29H40F2N4O8/c1-17(2)22(34-27(41)43-28(3,4)5)25(39)35-14-10-13-20(35)24(38)33-19(15-18-11-8-7-9-12-18)23(37)29(30,31)26(40)32-16-21(36)42-6/h7-9,11-12,17,19-20,22H,10,13-16H2,1-6H3,(H,32,40)(H,33,38)(H,34,41)/t19?,20-,22-/m0/s1
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 6.5n/an/an/an/an/an/an/an/a



Green Cross Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human heart chymase (HHC)

Bioorg Med Chem Lett 8: 913-8 (1999)


BindingDB Entry DOI: 10.7270/Q2GQ6WXB
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))		BDBM50068915
PNG
(5-{(S)-2-[1-Benzyl-3-(3-carboxymethyl-phenylcarbam...)
Show SMILES CC(C)(C)OC(=O)NC(CCC(O)=O)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(CC(O)=O)c1
Show InChI InChI=1S/C34H40F2N4O10/c1-33(2,3)50-32(49)39-23(14-15-26(41)42)30(47)40-16-8-13-25(40)29(46)38-24(18-20-9-5-4-6-10-20)28(45)34(35,36)31(48)37-22-12-7-11-21(17-22)19-27(43)44/h4-7,9-12,17,23-25H,8,13-16,18-19H2,1-3H3,(H,37,48)(H,38,46)(H,39,49)(H,41,42)(H,43,44)/t23?,24?,25-/m0/s1
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 6.70n/an/an/an/an/an/an/an/a



Green Cross Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human heart chymase (HHC)

Bioorg Med Chem Lett 8: 919-24 (1999)


BindingDB Entry DOI: 10.7270/Q2BZ656D
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))		BDBM50068887
PNG
(4-(4-{[(S)-1-((S)-2-tert-Butoxycarbonylamino-3-met...)
Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C33H40F2N4O8/c1-19(2)25(38-31(46)47-32(3,4)5)28(42)39-17-9-12-24(39)27(41)37-23(18-20-10-7-6-8-11-20)26(40)33(34,35)30(45)36-22-15-13-21(14-16-22)29(43)44/h6-8,10-11,13-16,19,23-25H,9,12,17-18H2,1-5H3,(H,36,45)(H,37,41)(H,38,46)(H,43,44)/t23?,24-,25-/m0/s1
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 6.80n/an/an/an/an/an/an/an/a



Green Cross Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human heart chymase (HHC)

Bioorg Med Chem Lett 8: 913-8 (1999)


BindingDB Entry DOI: 10.7270/Q2GQ6WXB
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))		BDBM50068892
PNG
(3-(4-{[(S)-1-((S)-2-Acetylamino-3-methyl-butyryl)-...)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(c1)C(O)=O
Show InChI InChI=1S/C30H34F2N4O7/c1-17(2)24(33-18(3)37)27(40)36-14-8-13-23(36)26(39)35-22(15-19-9-5-4-6-10-19)25(38)30(31,32)29(43)34-21-12-7-11-20(16-21)28(41)42/h4-7,9-12,16-17,22-24H,8,13-15H2,1-3H3,(H,33,37)(H,34,43)(H,35,39)(H,41,42)/t22?,23-,24-/m0/s1
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 7.10n/an/an/an/an/an/an/an/a



Green Cross Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human heart chymase (HHC)

Bioorg Med Chem Lett 8: 913-8 (1999)


BindingDB Entry DOI: 10.7270/Q2GQ6WXB
More data for this
Ligand-Target Pair
Glutamyl aminopeptidase


(Homo sapiens (Human))		BDBM50083374
PNG
(1-{[1-(1-Carboxy-3-sulfo-propylcarbamoyl)-2-(4-hyd...)
Show SMILES [NH3+][C@H](CCS([O-])(=O)=O)[C@@H](S)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCS(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C18H27N3O11S3/c19-12(5-7-34(27,28)29)15(33)17(24)21-14(9-10-1-3-11(22)4-2-10)16(23)20-13(18(25)26)6-8-35(30,31)32/h1-4,12-15,22,33H,5-9,19H2,(H,20,23)(H,21,24)(H,25,26)(H,27,28,29)(H,30,31,32)/t12-,13+,14+,15-/m1/s1
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 9.30n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A

J Med Chem 42: 5197-211 (2000)


BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Chymotrypsinogen A


(Bos taurus (bovine))		BDBM50068892
PNG
(3-(4-{[(S)-1-((S)-2-Acetylamino-3-methyl-butyryl)-...)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(c1)C(O)=O
Show InChI InChI=1S/C30H34F2N4O7/c1-17(2)24(33-18(3)37)27(40)36-14-8-13-23(36)26(39)35-22(15-19-9-5-4-6-10-19)25(38)30(31,32)29(43)34-21-12-7-11-20(16-21)28(41)42/h4-7,9-12,16-17,22-24H,8,13-15H2,1-3H3,(H,33,37)(H,34,43)(H,35,39)(H,41,42)/t22?,23-,24-/m0/s1
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 11n/an/an/an/an/an/an/an/a



Green Cross Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against Chymotrypsinogen

Bioorg Med Chem Lett 8: 913-8 (1999)


BindingDB Entry DOI: 10.7270/Q2GQ6WXB
More data for this
Ligand-Target Pair
Glutamyl aminopeptidase


(Homo sapiens (Human))		BDBM50083382
PNG
(1-{[1-(1,2-Dicarboxy-ethylcarbamoyl)-2-methyl-buty...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCP(O)([O-])=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C15H28N3O9PS/c1-3-7(2)11(13(21)17-9(15(23)24)6-10(19)20)18-14(22)12(29)8(16)4-5-28(25,26)27/h7-9,11-12,29H,3-6,16H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)(H,23,24)(H2,25,26,27)/t7-,8-,9+,11+,12-/m1/s1
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 12n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A

J Med Chem 42: 5197-211 (2000)


BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Glutamyl aminopeptidase


(Homo sapiens (Human))		BDBM50083403
PNG
(3-Carboxy-1-{[1-(1,2-dicarboxy-ethylcarbamoyl)-2-m...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@@H]([NH3+])CCC([O-])=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C16H27N3O8S/c1-3-7(2)12(14(24)18-9(16(26)27)6-11(22)23)19-15(25)13(28)8(17)4-5-10(20)21/h7-9,12-13,28H,3-6,17H2,1-2H3,(H,18,24)(H,19,25)(H,20,21)(H,22,23)(H,26,27)/t7-,8+,9+,12+,13-/m1/s1
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 13n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A

J Med Chem 42: 5197-211 (2000)


BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))		BDBM50068905
PNG
((4-{[(S)-1-((S)-2-tert-Butoxycarbonylamino-3-methy...)
Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)NCC(=O)OCc1ccccc1
Show InChI InChI=1S/C35H44F2N4O8/c1-22(2)28(40-33(47)49-34(3,4)5)31(45)41-18-12-17-26(41)30(44)39-25(19-23-13-8-6-9-14-23)29(43)35(36,37)32(46)38-20-27(42)48-21-24-15-10-7-11-16-24/h6-11,13-16,22,25-26,28H,12,17-21H2,1-5H3,(H,38,46)(H,39,44)(H,40,47)/t25?,26-,28-/m0/s1
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 13n/an/an/an/an/an/an/an/a



Green Cross Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human heart chymase (HHC)

Bioorg Med Chem Lett 8: 913-8 (1999)


BindingDB Entry DOI: 10.7270/Q2GQ6WXB
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))		BDBM50068903
PNG
((4-{[(S)-1-((S)-2-tert-Butoxycarbonylamino-3-methy...)
Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)NCC(O)=O
Show InChI InChI=1S/C28H38F2N4O8/c1-16(2)21(33-26(41)42-27(3,4)5)24(39)34-13-9-12-19(34)23(38)32-18(14-17-10-7-6-8-11-17)22(37)28(29,30)25(40)31-15-20(35)36/h6-8,10-11,16,18-19,21H,9,12-15H2,1-5H3,(H,31,40)(H,32,38)(H,33,41)(H,35,36)/t18?,19-,21-/m0/s1
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 13n/an/an/an/an/an/an/an/a



Green Cross Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human heart chymase (HHC)

Bioorg Med Chem Lett 8: 913-8 (1999)


BindingDB Entry DOI: 10.7270/Q2GQ6WXB
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))		BDBM50068912
PNG
(3-(4-{[(S)-1-(2-tert-Butoxycarbonylamino-4-carboxy...)
Show SMILES CC(C)(C)OC(=O)NC(CCC(O)=O)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cc(C(O)=O)c2ccccc2c1
Show InChI InChI=1S/C37H40F2N4O10/c1-36(2,3)53-35(52)42-26(15-16-29(44)45)32(48)43-17-9-14-28(43)31(47)41-27(18-21-10-5-4-6-11-21)30(46)37(38,39)34(51)40-23-19-22-12-7-8-13-24(22)25(20-23)33(49)50/h4-8,10-13,19-20,26-28H,9,14-18H2,1-3H3,(H,40,51)(H,41,47)(H,42,52)(H,44,45)(H,49,50)/t26?,27?,28-/m0/s1
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 14n/an/an/an/an/an/an/an/a



Green Cross Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human heart chymase (HHC)

Bioorg Med Chem Lett 8: 919-24 (1999)


BindingDB Entry DOI: 10.7270/Q2BZ656D
More data for this
Ligand-Target Pair
Glutamyl aminopeptidase


(Homo sapiens (Human))		BDBM50083387
PNG
(1-{[1-(1-Carbamoyl-2-carboxy-ethylcarbamoyl)-2-met...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCS([O-])(=O)=O)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C15H28N4O8S2/c1-3-7(2)11(14(23)18-9(13(17)22)6-10(20)21)19-15(24)12(28)8(16)4-5-29(25,26)27/h7-9,11-12,28H,3-6,16H2,1-2H3,(H2,17,22)(H,18,23)(H,19,24)(H,20,21)(H,25,26,27)/t7-,8-,9+,11+,12-/m1/s1
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 15n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A

J Med Chem 42: 5197-211 (2000)


BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Glutamyl aminopeptidase


(Homo sapiens (Human))		BDBM50083392
PNG
(1-{[1-(1,2-Dicarboxy-ethylcarbamoyl)-2-methyl-buty...)
Show SMILES CC[C@H](C)[C@@H](NC(=O)[C@H](S)[C@H]([NH3+])CCS([O-])(=O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C15H27N3O9S2/c1-3-7(2)11(13(21)17-9(15(23)24)6-10(19)20)18-14(22)12(28)8(16)4-5-29(25,26)27/h7-9,11-12,28H,3-6,16H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)(H,23,24)(H,25,26,27)/t7-,8+,9-,11+,12+/m0/s1
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 15n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A

J Med Chem 42: 5197-211 (2000)


BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))		BDBM50068908
PNG
(CHEMBL352917 | {(S)-1-[(S)-2-(1-Benzyl-3,3-difluor...)
Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1ccccc1
Show InChI InChI=1S/C32H40F2N4O6/c1-20(2)25(37-30(43)44-31(3,4)5)28(41)38-18-12-17-24(38)27(40)36-23(19-21-13-8-6-9-14-21)26(39)32(33,34)29(42)35-22-15-10-7-11-16-22/h6-11,13-16,20,23-25H,12,17-19H2,1-5H3,(H,35,42)(H,36,40)(H,37,43)/t23?,24-,25-/m0/s1
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 16n/an/an/an/an/an/an/an/a



Green Cross Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human heart chymase (HHC)

Bioorg Med Chem Lett 8: 913-8 (1999)


BindingDB Entry DOI: 10.7270/Q2GQ6WXB
More data for this
Ligand-Target Pair
Glutamyl aminopeptidase


(Homo sapiens (Human))		BDBM50083400
PNG
(3-Carboxy-1-{[1-(1,2-dicarboxy-ethylcarbamoyl)-2-m...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](S)[C@@H]([NH3+])CCC([O-])=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C16H27N3O8S/c1-3-7(2)12(14(24)18-9(16(26)27)6-11(22)23)19-15(25)13(28)8(17)4-5-10(20)21/h7-9,12-13,28H,3-6,17H2,1-2H3,(H,18,24)(H,19,25)(H,20,21)(H,22,23)(H,26,27)/t7-,8+,9+,12+,13+/m1/s1
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 16n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A

J Med Chem 42: 5197-211 (2000)


BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))		BDBM50068909
PNG
(3-(2,2-Difluoro-4-{[(S)-1-((S)-2-methanesulfonylam...)
Show SMILES CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(c1)C(O)=O
Show InChI InChI=1S/C29H34F2N4O8S/c1-17(2)23(34-44(3,42)43)26(38)35-14-8-13-22(35)25(37)33-21(15-18-9-5-4-6-10-18)24(36)29(30,31)28(41)32-20-12-7-11-19(16-20)27(39)40/h4-7,9-12,16-17,21-23,34H,8,13-15H2,1-3H3,(H,32,41)(H,33,37)(H,39,40)/t21?,22-,23-/m0/s1
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 17n/an/an/an/an/an/an/an/a



Green Cross Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human heart chymase (HHC)

Bioorg Med Chem Lett 8: 913-8 (1999)


BindingDB Entry DOI: 10.7270/Q2GQ6WXB
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))		BDBM50083378
PNG
(1-{[1-(1-Carboxy-2-sulfo-ethylcarbamoyl)-2-methyl-...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCS([O-])(=O)=O)C(=O)N[C@@H](CS(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C14H27N3O10S3/c1-3-7(2)10(12(18)16-9(14(20)21)6-30(25,26)27)17-13(19)11(28)8(15)4-5-29(22,23)24/h7-11,28H,3-6,15H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)(H,22,23,24)(H,25,26,27)/t7-,8-,9+,10+,11-/m1/s1
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 17n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against NEP from rabbit kidney(neutral endopeptidase)

J Med Chem 42: 5197-211 (2000)


BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))		BDBM50068897
PNG
(CHEMBL171119 | {(S)-1-[(S)-2-(1-Benzyl-3,3-difluor...)
Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C34H44F2N4O6/c1-22(2)27(39-32(45)46-33(3,4)5)30(43)40-20-12-17-26(40)29(42)38-25(21-24-15-10-7-11-16-24)28(41)34(35,36)31(44)37-19-18-23-13-8-6-9-14-23/h6-11,13-16,22,25-27H,12,17-21H2,1-5H3,(H,37,44)(H,38,42)(H,39,45)/t25?,26-,27-/m0/s1
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 18n/an/an/an/an/an/an/an/a



Green Cross Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human heart chymase (HHC)

Bioorg Med Chem Lett 8: 913-8 (1999)


BindingDB Entry DOI: 10.7270/Q2GQ6WXB
More data for this
Ligand-Target Pair
Chymotrypsinogen A


(Bos taurus (bovine))		BDBM50068901
PNG
(3-[2,2-Difluoro-4-({(S)-1-[(S)-3-methyl-2-(3-pheny...)
Show SMILES CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(c1)C(O)=O
Show InChI InChI=1S/C37H40F2N4O7/c1-23(2)31(42-30(44)19-18-24-11-5-3-6-12-24)34(47)43-20-10-17-29(43)33(46)41-28(21-25-13-7-4-8-14-25)32(45)37(38,39)36(50)40-27-16-9-15-26(22-27)35(48)49/h3-9,11-16,22-23,28-29,31H,10,17-21H2,1-2H3,(H,40,50)(H,41,46)(H,42,44)(H,48,49)/t28?,29-,31-/m0/s1
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 19n/an/an/an/an/an/an/an/a



Green Cross Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against Chymotrypsinogen

Bioorg Med Chem Lett 8: 913-8 (1999)


BindingDB Entry DOI: 10.7270/Q2GQ6WXB
More data for this
Ligand-Target Pair
Glutamyl aminopeptidase


(Homo sapiens (Human))		BDBM50083384
PNG
(1-{[1-(1,2-Dicarboxy-ethylcarbamoyl)-2-methyl-buty...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@@H]([NH3+])CCS([O-])(=O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C15H27N3O9S2/c1-3-7(2)11(13(21)17-9(15(23)24)6-10(19)20)18-14(22)12(28)8(16)4-5-29(25,26)27/h7-9,11-12,28H,3-6,16H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)(H,23,24)(H,25,26,27)/t7-,8+,9+,11+,12-/m1/s1
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 20n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A

J Med Chem 42: 5197-211 (2000)


BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))		BDBM50068913
PNG
(5-{(S)-2-[1-Benzyl-3-(3-carbamoyl-phenylcarbamoyl)...)
Show SMILES CC(C)(C)OC(=O)NC(CCC(O)=O)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(c1)C(N)=O
Show InChI InChI=1S/C33H39F2N5O9/c1-32(2,3)49-31(48)39-22(14-15-25(41)42)29(46)40-16-8-13-24(40)28(45)38-23(17-19-9-5-4-6-10-19)26(43)33(34,35)30(47)37-21-12-7-11-20(18-21)27(36)44/h4-7,9-12,18,22-24H,8,13-17H2,1-3H3,(H2,36,44)(H,37,47)(H,38,45)(H,39,48)(H,41,42)/t22?,23?,24-/m0/s1
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 21n/an/an/an/an/an/an/an/a



Green Cross Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human heart chymase (HHC)

Bioorg Med Chem Lett 8: 919-24 (1999)


BindingDB Entry DOI: 10.7270/Q2BZ656D
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))		BDBM50083394
PNG
(1-{[1-(1,2-Dicarboxy-ethylcarbamoyl)-2-methyl-buty...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCS([O-])(=O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C15H27N3O9S2/c1-3-7(2)11(13(21)17-9(15(23)24)6-10(19)20)18-14(22)12(28)8(16)4-5-29(25,26)27/h7-9,11-12,28H,3-6,16H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)(H,23,24)(H,25,26,27)/t7-,8-,9+,11+,12-/m1/s1
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 22n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against NEP from rabbit kidney(neutral endopeptidase)

J Med Chem 42: 5197-211 (2000)


BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))		BDBM50068914
PNG
(5-{(S)-2-[1-Benzyl-3-(3-butylsulfamoyl-phenylcarba...)
Show SMILES CCCCNS(=O)(=O)c1cccc(NC(=O)C(F)(F)C(=O)C(Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)C(CCC(O)=O)NC(=O)OC(C)(C)C)c1
Show InChI InChI=1S/C36H47F2N5O10S/c1-5-6-19-39-54(51,52)25-15-10-14-24(22-25)40-33(49)36(37,38)30(46)27(21-23-12-8-7-9-13-23)41-31(47)28-16-11-20-43(28)32(48)26(17-18-29(44)45)42-34(50)53-35(2,3)4/h7-10,12-15,22,26-28,39H,5-6,11,16-21H2,1-4H3,(H,40,49)(H,41,47)(H,42,50)(H,44,45)/t26?,27?,28-/m0/s1
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 23n/an/an/an/an/an/an/an/a



Green Cross Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human heart chymase (HHC)

Bioorg Med Chem Lett 8: 919-24 (1999)


BindingDB Entry DOI: 10.7270/Q2BZ656D
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))		BDBM50068885
PNG
(4-(4-{[(S)-1-((S)-2-tert-Butoxycarbonylamino-3-met...)
Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)NCCCC(O)=O
Show InChI InChI=1S/C30H42F2N4O8/c1-18(2)23(35-28(43)44-29(3,4)5)26(41)36-16-10-13-21(36)25(40)34-20(17-19-11-7-6-8-12-19)24(39)30(31,32)27(42)33-15-9-14-22(37)38/h6-8,11-12,18,20-21,23H,9-10,13-17H2,1-5H3,(H,33,42)(H,34,40)(H,35,43)(H,37,38)/t20?,21-,23-/m0/s1
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 24n/an/an/an/an/an/an/an/a



Green Cross Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human heart chymase (HHC)

Bioorg Med Chem Lett 8: 913-8 (1999)


BindingDB Entry DOI: 10.7270/Q2GQ6WXB
More data for this
Ligand-Target Pair
Glutamyl aminopeptidase


(Homo sapiens (Human))		BDBM50083395
PNG
(1-{[1-(1,2-Dicarboxy-ethylcarbamoyl)-2-(4-hydroxy-...)
Show SMILES [NH3+][C@H](CCS([O-])(=O)=O)[C@H](S)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C18H25N3O10S2/c19-11(5-6-33(29,30)31)15(32)17(26)20-12(7-9-1-3-10(22)4-2-9)16(25)21-13(18(27)28)8-14(23)24/h1-4,11-13,15,22,32H,5-8,19H2,(H,20,26)(H,21,25)(H,23,24)(H,27,28)(H,29,30,31)/t11-,12+,13+,15+/m1/s1
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 27n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A

J Med Chem 42: 5197-211 (2000)


BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))		BDBM50068920
PNG
(5-{(S)-2-[1-Benzyl-3,3-difluoro-2-oxo-3-(3-sulfamo...)
Show SMILES CC(C)(C)OC(=O)NC(CCC(O)=O)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C32H39F2N5O10S/c1-31(2,3)49-30(46)38-22(14-15-25(40)41)28(44)39-16-8-13-24(39)27(43)37-23(17-19-9-5-4-6-10-19)26(42)32(33,34)29(45)36-20-11-7-12-21(18-20)50(35,47)48/h4-7,9-12,18,22-24H,8,13-17H2,1-3H3,(H,36,45)(H,37,43)(H,38,46)(H,40,41)(H2,35,47,48)/t22?,23?,24-/m0/s1
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 28n/an/an/an/an/an/an/an/a



Green Cross Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human heart chymase (HHC)

Bioorg Med Chem Lett 8: 919-24 (1999)


BindingDB Entry DOI: 10.7270/Q2BZ656D
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))		BDBM50068891
PNG
(CHEMBL170683 | {(S)-1-[(S)-2-(1-Benzyl-3,3-difluor...)
Show SMILES CNC(=O)C(F)(F)C(=O)C(Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C
Show InChI InChI=1S/C27H38F2N4O6/c1-16(2)20(32-25(38)39-26(3,4)5)23(36)33-14-10-13-19(33)22(35)31-18(15-17-11-8-7-9-12-17)21(34)27(28,29)24(37)30-6/h7-9,11-12,16,18-20H,10,13-15H2,1-6H3,(H,30,37)(H,31,35)(H,32,38)/t18?,19-,20-/m0/s1
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 29n/an/an/an/an/an/an/an/a



Green Cross Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human heart chymase (HHC)

Bioorg Med Chem Lett 8: 913-8 (1999)


BindingDB Entry DOI: 10.7270/Q2GQ6WXB
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))		BDBM50068890
PNG
(2-(4-{[(S)-1-((S)-2-tert-Butoxycarbonylamino-3-met...)
Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)NC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C35H44F2N4O8/c1-21(2)27(40-33(48)49-34(3,4)5)30(44)41-18-12-17-26(41)29(43)38-24(19-22-13-8-6-9-14-22)28(42)35(36,37)32(47)39-25(31(45)46)20-23-15-10-7-11-16-23/h6-11,13-16,21,24-27H,12,17-20H2,1-5H3,(H,38,43)(H,39,47)(H,40,48)(H,45,46)/t24?,25?,26-,27-/m0/s1
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 30n/an/an/an/an/an/an/an/a



Green Cross Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human heart chymase (HHC)

Bioorg Med Chem Lett 8: 913-8 (1999)


BindingDB Entry DOI: 10.7270/Q2GQ6WXB
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM50068918
PNG
((S)-4-((2S,3S)-2-Benzyloxycarbonylamino-3-methyl-p...)
Show SMILES CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)OC
Show InChI InChI=1S/C34H44N4O9/c1-4-22(2)29(37-34(45)47-21-24-14-9-6-10-15-24)31(42)35-25(17-18-28(39)40)32(43)38-19-11-16-27(38)30(41)36-26(33(44)46-3)20-23-12-7-5-8-13-23/h5-10,12-15,22,25-27,29H,4,11,16-21H2,1-3H3,(H,35,42)(H,36,41)(H,37,45)(H,39,40)/t22-,25-,26-,27-,29-/m0/s1
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 34n/an/an/an/an/an/an/an/a



Green Cross Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against Bovine Chymotrypsinogen

Bioorg Med Chem Lett 8: 919-24 (1999)


BindingDB Entry DOI: 10.7270/Q2BZ656D
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))		BDBM50083393
PNG
(1-{[1-(1,2-Dicarboxy-ethylcarbamoyl)-2-(4-hydroxy-...)
Show SMILES [NH3+][C@H](CCS([O-])(=O)=O)[C@@H](S)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C18H25N3O10S2/c19-11(5-6-33(29,30)31)15(32)17(26)20-12(7-9-1-3-10(22)4-2-9)16(25)21-13(18(27)28)8-14(23)24/h1-4,11-13,15,22,32H,5-8,19H2,(H,20,26)(H,21,25)(H,23,24)(H,27,28)(H,29,30,31)/t11-,12+,13+,15-/m1/s1
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 34n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against NEP from rabbit kidney(neutral endopeptidase)

J Med Chem 42: 5197-211 (2000)


BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))		BDBM50068904
PNG
(3-(4-{[(S)-1-((S)-2-tert-Butoxycarbonylamino-3-met...)
Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)NCCC(O)=O
Show InChI InChI=1S/C29H40F2N4O8/c1-17(2)22(34-27(42)43-28(3,4)5)25(40)35-15-9-12-20(35)24(39)33-19(16-18-10-7-6-8-11-18)23(38)29(30,31)26(41)32-14-13-21(36)37/h6-8,10-11,17,19-20,22H,9,12-16H2,1-5H3,(H,32,41)(H,33,39)(H,34,42)(H,36,37)/t19?,20-,22-/m0/s1
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 36n/an/an/an/an/an/an/an/a



Green Cross Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human heart chymase (HHC)

Bioorg Med Chem Lett 8: 913-8 (1999)


BindingDB Entry DOI: 10.7270/Q2GQ6WXB
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))		BDBM50068916
PNG
(3-(4-{[(S)-1-(2-tert-Butoxycarbonylamino-3-carboxy...)
Show SMILES CC(C)(C)OC(=O)NC(CC(O)=O)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(c1)C(O)=O
Show InChI InChI=1S/C32H36F2N4O10/c1-31(2,3)48-30(47)37-22(17-24(39)40)27(43)38-14-8-13-23(38)26(42)36-21(15-18-9-5-4-6-10-18)25(41)32(33,34)29(46)35-20-12-7-11-19(16-20)28(44)45/h4-7,9-12,16,21-23H,8,13-15,17H2,1-3H3,(H,35,46)(H,36,42)(H,37,47)(H,39,40)(H,44,45)/t21?,22?,23-/m0/s1
PDB
MMDB

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 37n/an/an/an/an/an/an/an/a



Green Cross Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human heart chymase (HHC)

Bioorg Med Chem Lett 8: 919-24 (1999)


BindingDB Entry DOI: 10.7270/Q2BZ656D
More data for this
Ligand-Target Pair
Glutamyl aminopeptidase


(Homo sapiens (Human))		BDBM50083398
PNG
((3R,4R)-3-ammonio-5-{[(1S)-1-carboxy-2-methylbutyl...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCS([O-])(=O)=O)C(O)=O
Show InChI InChI=1S/C11H22N2O6S2/c1-3-6(2)8(11(15)16)13-10(14)9(20)7(12)4-5-21(17,18)19/h6-9,20H,3-5,12H2,1-2H3,(H,13,14)(H,15,16)(H,17,18,19)/t6-,7-,8+,9-/m1/s1
PDB

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 40n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against recombinant Aminopeptidase A

J Med Chem 42: 5197-211 (2000)


BindingDB Entry DOI: 10.7270/Q2028S8F
More data for this
Ligand-Target Pair
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