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PubMed code 8021921

Compile data set for download or QSAR
Found 28 hits of Enzyme Inhibition Constant Data   
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
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50017129
PNG
((S)-1-((S)-2-((R)-1-ethoxy-1-oxo-4-phenylbutan-2-y...)
Show SMILES CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(O)=O |r|
Show InChI InChI=1S/C20H28N2O5/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25)/t14-,16-,17-/m0/s1
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Tested for 50% inhibition of Angiotensin converting enzyme(ACE) obtained from rabbit lung (in vitro)

J Med Chem 37: 1823-32 (1994)


BindingDB Entry DOI: 10.7270/Q280537C
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50038591
PNG
(6-(5-Chloro-1-methyl-2-pyridin-3-yl-1H-indol-3-yl)...)
Show SMILES Cn1c(c(CCCCCC(O)=O)c2cc(Cl)ccc12)-c1cccnc1
Show InChI InChI=1S/C20H21ClN2O2/c1-23-18-10-9-15(21)12-17(18)16(7-3-2-4-8-19(24)25)20(23)14-6-5-11-22-13-14/h5-6,9-13H,2-4,7-8H2,1H3,(H,24,25)
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Tested for 50% inhibition of thromboxane synthase (TxS) in human platelets (in vitro)

J Med Chem 37: 1823-32 (1994)


BindingDB Entry DOI: 10.7270/Q280537C
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50021153
PNG
(1H-1-Benzazepine-1-acetic acid, 3-((1-(ethoxycarbo...)
Show SMILES CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCc2ccccc2N(CC(O)=O)C1=O
Show InChI InChI=1S/C24H28N2O5/c1-2-31-24(30)20(14-12-17-8-4-3-5-9-17)25-19-15-13-18-10-6-7-11-21(18)26(23(19)29)16-22(27)28/h3-11,19-20,25H,2,12-16H2,1H3,(H,27,28)/t19-,20-/m0/s1
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Tested for 50% inhibition of Angiotensin converting enzyme(ACE) obtained from rabbit lung (in vitro)

J Med Chem 37: 1823-32 (1994)


BindingDB Entry DOI: 10.7270/Q280537C
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50038593
PNG
(CHEMBL301130 | Potassium ;2-(1-Carboxymethyl-2-oxo...)
Show SMILES Cn1c(c(CCCCCC(=O)NCCCC[C@H](N[C@@H]2CCc3ccccc3N(CC([O-])=O)C2=O)C([O-])=O)c2cc(Cl)ccc12)-c1cccnc1
Show InChI InChI=1S/C38H44ClN5O6/c1-43-33-19-17-27(39)22-29(33)28(36(43)26-11-9-20-40-23-26)12-3-2-4-15-34(45)41-21-8-7-13-31(38(49)50)42-30-18-16-25-10-5-6-14-32(25)44(37(30)48)24-35(46)47/h5-6,9-11,14,17,19-20,22-23,30-31,42H,2-4,7-8,12-13,15-16,18,21,24H2,1H3,(H,41,45)(H,46,47)(H,49,50)/p-2/t30-,31+/m1/s1
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Tested for 50% inhibition of thromboxane synthase (TxS) in human platelets (in vitro)

J Med Chem 37: 1823-32 (1994)


BindingDB Entry DOI: 10.7270/Q280537C
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50038580
PNG
(CHEMBL55763 | Potassium;2-(1-Carboxymethyl-2-oxo-2...)
Show SMILES Cn1c(c(CCCCCC(=O)NCCNCCCC[C@H](N[C@H]2CCc3ccccc3N(CC([O-])=O)C2=O)C([O-])=O)c2cc(Cl)ccc12)-c1cccnc1
Show InChI InChI=1S/C40H49ClN6O6/c1-46-35-19-17-29(41)24-31(35)30(38(46)28-11-9-21-43-25-28)12-3-2-4-15-36(48)44-23-22-42-20-8-7-13-33(40(52)53)45-32-18-16-27-10-5-6-14-34(27)47(39(32)51)26-37(49)50/h5-6,9-11,14,17,19,21,24-25,32-33,42,45H,2-4,7-8,12-13,15-16,18,20,22-23,26H2,1H3,(H,44,48)(H,49,50)(H,52,53)/p-2/t32-,33-/m0/s1
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Tested for 50% inhibition of Angiotensin converting enzyme(ACE) obtained from rabbit lung (in vitro)

J Med Chem 37: 1823-32 (1994)


BindingDB Entry DOI: 10.7270/Q280537C
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50038594
PNG
((S)-2-((3S,5R)-5-Acetoxy-1-carboxymethyl-2-oxo-2,3...)
Show SMILES CC(=O)O[C@@H]1C[C@H](N[C@@H](CCc2ccccc2)C(O)=O)C(=O)N(CC(O)=O)c2ccccc12
Show InChI InChI=1S/C24H26N2O7/c1-15(27)33-21-13-19(25-18(24(31)32)12-11-16-7-3-2-4-8-16)23(30)26(14-22(28)29)20-10-6-5-9-17(20)21/h2-10,18-19,21,25H,11-14H2,1H3,(H,28,29)(H,31,32)/t18-,19-,21+/m0/s1
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Tested for 50% inhibition of Angiotensin converting enzyme(ACE) obtained from rabbit lung (in vitro)

J Med Chem 37: 1823-32 (1994)


BindingDB Entry DOI: 10.7270/Q280537C
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50038593
PNG
(CHEMBL301130 | Potassium ;2-(1-Carboxymethyl-2-oxo...)
Show SMILES Cn1c(c(CCCCCC(=O)NCCCC[C@H](N[C@@H]2CCc3ccccc3N(CC([O-])=O)C2=O)C([O-])=O)c2cc(Cl)ccc12)-c1cccnc1
Show InChI InChI=1S/C38H44ClN5O6/c1-43-33-19-17-27(39)22-29(33)28(36(43)26-11-9-20-40-23-26)12-3-2-4-15-34(45)41-21-8-7-13-31(38(49)50)42-30-18-16-25-10-5-6-14-32(25)44(37(30)48)24-35(46)47/h5-6,9-11,14,17,19-20,22-23,30-31,42H,2-4,7-8,12-13,15-16,18,21,24H2,1H3,(H,41,45)(H,46,47)(H,49,50)/p-2/t30-,31+/m1/s1
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Tested for 50% inhibition of Angiotensin converting enzyme(ACE) obtained from rabbit lung (in vitro)

J Med Chem 37: 1823-32 (1994)


BindingDB Entry DOI: 10.7270/Q280537C
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50038596
PNG
((S)-6-Amino-2-((R)-1-carboxymethyl-2-oxo-2,3,4,5-t...)
Show SMILES NCCCC[C@H](N[C@@H]1CCc2ccccc2N(CC(O)=O)C1=O)C(O)=O
Show InChI InChI=1S/C18H25N3O5/c19-10-4-3-6-14(18(25)26)20-13-9-8-12-5-1-2-7-15(12)21(17(13)24)11-16(22)23/h1-2,5,7,13-14,20H,3-4,6,8-11,19H2,(H,22,23)(H,25,26)/t13-,14+/m1/s1
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Tested for 50% inhibition of Angiotensin converting enzyme(ACE) obtained from rabbit lung (in vitro)

J Med Chem 37: 1823-32 (1994)


BindingDB Entry DOI: 10.7270/Q280537C
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50038598
PNG
((S)-2-((S)-1-Carboxymethyl-2-oxo-2,3,4,5-tetrahydr...)
Show SMILES OCCNCCCC[C@H](N[C@H]1CCc2ccccc2N(CC(O)=O)C1=O)C(O)=O
Show InChI InChI=1S/C20H29N3O6/c24-12-11-21-10-4-3-6-16(20(28)29)22-15-9-8-14-5-1-2-7-17(14)23(19(15)27)13-18(25)26/h1-2,5,7,15-16,21-22,24H,3-4,6,8-13H2,(H,25,26)(H,28,29)/t15-,16-/m0/s1
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Tested for 50% inhibition of Angiotensin converting enzyme(ACE) obtained from rabbit lung (in vitro)

J Med Chem 37: 1823-32 (1994)


BindingDB Entry DOI: 10.7270/Q280537C
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50038583
PNG
((S)-2-((3S,5R)-1-Carboxymethyl-5-hydroxy-2-oxo-2,3...)
Show SMILES O[C@@H]1C[C@H](N[C@@H](CCc2ccccc2)C(O)=O)C(=O)N(CC(O)=O)c2ccccc12
Show InChI InChI=1S/C22H24N2O6/c25-19-12-17(23-16(22(29)30)11-10-14-6-2-1-3-7-14)21(28)24(13-20(26)27)18-9-5-4-8-15(18)19/h1-9,16-17,19,23,25H,10-13H2,(H,26,27)(H,29,30)/t16-,17-,19+/m0/s1
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Tested for 50% inhibition of Angiotensin converting enzyme(ACE) obtained from rabbit lung (in vitro)

J Med Chem 37: 1823-32 (1994)


BindingDB Entry DOI: 10.7270/Q280537C
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50038586
PNG
(CHEMBL544493 | [4-(3-Methyl-2-pyridin-3-yl-indol-1...)
Show SMILES CCOP(O)(=O)CCCCn1c(c(C)c2ccccc12)-c1cccnc1
Show InChI InChI=1S/C20H25N2O3P/c1-3-25-26(23,24)14-7-6-13-22-19-11-5-4-10-18(19)16(2)20(22)17-9-8-12-21-15-17/h4-5,8-12,15H,3,6-7,13-14H2,1-2H3,(H,23,24)
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Tested for 50% inhibition of thromboxane synthase (TxS) in human platelets (in vitro)

J Med Chem 37: 1823-32 (1994)


BindingDB Entry DOI: 10.7270/Q280537C
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50038585
PNG
((S)-2-((S)-1-Carboxymethyl-2-oxo-2,3,4,5-tetrahydr...)
Show SMILES Cn1c(c(CCCCCC(=O)N(CCO)CCCC[C@H](N[C@H]2CCc3ccccc3N(CC(O)=O)C2=O)C(O)=O)c2cc(Cl)ccc12)-c1cccnc1
Show InChI InChI=1S/C40H48ClN5O7/c1-44-35-19-17-29(41)24-31(35)30(38(44)28-11-9-20-42-25-28)12-3-2-4-15-36(48)45(22-23-47)21-8-7-13-33(40(52)53)43-32-18-16-27-10-5-6-14-34(27)46(39(32)51)26-37(49)50/h5-6,9-11,14,17,19-20,24-25,32-33,43,47H,2-4,7-8,12-13,15-16,18,21-23,26H2,1H3,(H,49,50)(H,52,53)/t32-,33-/m0/s1
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Tested for 50% inhibition of Angiotensin converting enzyme(ACE) obtained from rabbit lung (in vitro)

J Med Chem 37: 1823-32 (1994)


BindingDB Entry DOI: 10.7270/Q280537C
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50038589
PNG
(CHEMBL53709 | Sodium;2-(1-Carboxymethyl-2-oxo-2,3,...)
Show SMILES CNCCN(CCCC[C@H](N[C@H]1CCc2ccccc2N(CC([O-])=O)C1=O)C([O-])=O)C(=O)CCCCCc1c(-c2cccnc2)n(C)c2ccc(Cl)cc12
Show InChI InChI=1S/C41H51ClN6O6/c1-43-22-24-47(23-9-8-14-34(41(53)54)45-33-19-17-28-11-6-7-15-35(28)48(40(33)52)27-38(50)51)37(49)16-5-3-4-13-31-32-25-30(42)18-20-36(32)46(2)39(31)29-12-10-21-44-26-29/h6-7,10-12,15,18,20-21,25-26,33-34,43,45H,3-5,8-9,13-14,16-17,19,22-24,27H2,1-2H3,(H,50,51)(H,53,54)/p-2/t33-,34-/m0/s1
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Tested for 50% inhibition of Angiotensin converting enzyme(ACE) obtained from rabbit lung (in vitro)

J Med Chem 37: 1823-32 (1994)


BindingDB Entry DOI: 10.7270/Q280537C
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50038580
PNG
(CHEMBL55763 | Potassium;2-(1-Carboxymethyl-2-oxo-2...)
Show SMILES Cn1c(c(CCCCCC(=O)NCCNCCCC[C@H](N[C@H]2CCc3ccccc3N(CC([O-])=O)C2=O)C([O-])=O)c2cc(Cl)ccc12)-c1cccnc1
Show InChI InChI=1S/C40H49ClN6O6/c1-46-35-19-17-29(41)24-31(35)30(38(46)28-11-9-21-43-25-28)12-3-2-4-15-36(48)44-23-22-42-20-8-7-13-33(40(52)53)45-32-18-16-27-10-5-6-14-34(27)47(39(32)51)26-37(49)50/h5-6,9-11,14,17,19,21,24-25,32-33,42,45H,2-4,7-8,12-13,15-16,18,20,22-23,26H2,1H3,(H,44,48)(H,49,50)(H,52,53)/p-2/t32-,33-/m0/s1
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Tested for 50% inhibition of thromboxane synthase (TxS) in human platelets (in vitro)

J Med Chem 37: 1823-32 (1994)


BindingDB Entry DOI: 10.7270/Q280537C
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50038582
PNG
(5-(3-Methyl-2-pyridin-3-yl-indol-1-yl)-pentanoic a...)
Show SMILES Cc1c(-c2cccnc2)n(CCCCC(O)=O)c2ccccc12
Show InChI InChI=1S/C19H20N2O2/c1-14-16-8-2-3-9-17(16)21(12-5-4-10-18(22)23)19(14)15-7-6-11-20-13-15/h2-3,6-9,11,13H,4-5,10,12H2,1H3,(H,22,23)
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Tested for 50% inhibition of thromboxane synthase (TxS) in human platelets (in vitro)

J Med Chem 37: 1823-32 (1994)


BindingDB Entry DOI: 10.7270/Q280537C
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50038587
PNG
(8-(3-Methyl-2-pyridin-3-yl-indol-1-yl)-octanoic ac...)
Show SMILES Cc1c(-c2cccnc2)n(CCCCCCCC(O)=O)c2ccccc12
Show InChI InChI=1S/C22H26N2O2/c1-17-19-11-6-7-12-20(19)24(22(17)18-10-9-14-23-16-18)15-8-4-2-3-5-13-21(25)26/h6-7,9-12,14,16H,2-5,8,13,15H2,1H3,(H,25,26)
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Tested for 50% inhibition of thromboxane synthase (TxS) in human platelets (in vitro)

J Med Chem 37: 1823-32 (1994)


BindingDB Entry DOI: 10.7270/Q280537C
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50038590
PNG
(CHEMBL300130 | Sodium;2-(1-Carboxymethyl-2-oxo-2,3...)
Show SMILES Cn1c(c(CCCCCC(=O)N2CCC(CC2)NCCCC[C@H](N[C@@H]2CCc3ccccc3N(CC([O-])=O)C2=O)C([O-])=O)c2cc(Cl)ccc12)-c1cccnc1
Show InChI InChI=1S/C43H53ClN6O6/c1-48-38-19-17-31(44)26-34(38)33(41(48)30-11-9-22-45-27-30)12-3-2-4-15-39(51)49-24-20-32(21-25-49)46-23-8-7-13-36(43(55)56)47-35-18-16-29-10-5-6-14-37(29)50(42(35)54)28-40(52)53/h5-6,9-11,14,17,19,22,26-27,32,35-36,46-47H,2-4,7-8,12-13,15-16,18,20-21,23-25,28H2,1H3,(H,52,53)(H,55,56)/p-2/t35-,36+/m1/s1
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Tested for 50% inhibition of Angiotensin converting enzyme(ACE) obtained from rabbit lung (in vitro)

J Med Chem 37: 1823-32 (1994)


BindingDB Entry DOI: 10.7270/Q280537C
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50038589
PNG
(CHEMBL53709 | Sodium;2-(1-Carboxymethyl-2-oxo-2,3,...)
Show SMILES CNCCN(CCCC[C@H](N[C@H]1CCc2ccccc2N(CC([O-])=O)C1=O)C([O-])=O)C(=O)CCCCCc1c(-c2cccnc2)n(C)c2ccc(Cl)cc12
Show InChI InChI=1S/C41H51ClN6O6/c1-43-22-24-47(23-9-8-14-34(41(53)54)45-33-19-17-28-11-6-7-15-35(28)48(40(33)52)27-38(50)51)37(49)16-5-3-4-13-31-32-25-30(42)18-20-36(32)46(2)39(31)29-12-10-21-44-26-29/h6-7,10-12,15,18,20-21,25-26,33-34,43,45H,3-5,8-9,13-14,16-17,19,22-24,27H2,1-2H3,(H,50,51)(H,53,54)/p-2/t33-,34-/m0/s1
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Tested for 50% inhibition of thromboxane synthase (TxS) in human platelets (in vitro)

J Med Chem 37: 1823-32 (1994)


BindingDB Entry DOI: 10.7270/Q280537C
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50038581
PNG
(8-(3-Methyl-2-pyridin-3-yl-indol-1-yl)-octanoic ac...)
Show SMILES Cc1c(-c2cccnc2)n(CCCCCCCC(=O)O[C@@H]2C[C@H](N[C@@H](CCc3ccccc3)C(O)=O)C(=O)N(CC(O)=O)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C44H48N4O7/c1-30-33-18-9-11-20-37(33)47(42(30)32-17-14-25-45-28-32)26-13-4-2-3-8-22-41(51)55-39-27-36(46-35(44(53)54)24-23-31-15-6-5-7-16-31)43(52)48(29-40(49)50)38-21-12-10-19-34(38)39/h5-7,9-12,14-21,25,28,35-36,39,46H,2-4,8,13,22-24,26-27,29H2,1H3,(H,49,50)(H,53,54)/t35-,36-,39+/m0/s1
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Tested for 50% inhibition of thromboxane synthase (TxS) in human platelets (in vitro)

J Med Chem 37: 1823-32 (1994)


BindingDB Entry DOI: 10.7270/Q280537C
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50038590
PNG
(CHEMBL300130 | Sodium;2-(1-Carboxymethyl-2-oxo-2,3...)
Show SMILES Cn1c(c(CCCCCC(=O)N2CCC(CC2)NCCCC[C@H](N[C@@H]2CCc3ccccc3N(CC([O-])=O)C2=O)C([O-])=O)c2cc(Cl)ccc12)-c1cccnc1
Show InChI InChI=1S/C43H53ClN6O6/c1-48-38-19-17-31(44)26-34(38)33(41(48)30-11-9-22-45-27-30)12-3-2-4-15-39(51)49-24-20-32(21-25-49)46-23-8-7-13-36(43(55)56)47-35-18-16-29-10-5-6-14-37(29)50(42(35)54)28-40(52)53/h5-6,9-11,14,17,19,22,26-27,32,35-36,46-47H,2-4,7-8,12-13,15-16,18,20-21,23-25,28H2,1H3,(H,52,53)(H,55,56)/p-2/t35-,36+/m1/s1
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Tested for 50% inhibition of thromboxane synthase (TxS) in human platelets (in vitro)

J Med Chem 37: 1823-32 (1994)


BindingDB Entry DOI: 10.7270/Q280537C
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50038584
PNG
((S)-1-(4-Carboxy-8-imidazo[1,5-a]pyridin-5-yl-octa...)
Show SMILES OC(=O)C(CCCCc1cccc2cncn12)CCC(=O)N1[C@@H](Cc2ccccc12)C(O)=O
Show InChI InChI=1S/C25H27N3O5/c29-23(28-21-11-4-2-7-18(21)14-22(28)25(32)33)13-12-17(24(30)31)6-1-3-8-19-9-5-10-20-15-26-16-27(19)20/h2,4-5,7,9-11,15-17,22H,1,3,6,8,12-14H2,(H,30,31)(H,32,33)/t17?,22-/m0/s1
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Tested for 50% inhibition of Angiotensin converting enzyme(ACE) obtained from rabbit lung (in vitro)

J Med Chem 37: 1823-32 (1994)


BindingDB Entry DOI: 10.7270/Q280537C
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50038585
PNG
((S)-2-((S)-1-Carboxymethyl-2-oxo-2,3,4,5-tetrahydr...)
Show SMILES Cn1c(c(CCCCCC(=O)N(CCO)CCCC[C@H](N[C@H]2CCc3ccccc3N(CC(O)=O)C2=O)C(O)=O)c2cc(Cl)ccc12)-c1cccnc1
Show InChI InChI=1S/C40H48ClN5O7/c1-44-35-19-17-29(41)24-31(35)30(38(44)28-11-9-20-42-25-28)12-3-2-4-15-36(48)45(22-23-47)21-8-7-13-33(40(52)53)43-32-18-16-27-10-5-6-14-34(27)46(39(32)51)26-37(49)50/h5-6,9-11,14,17,19-20,24-25,32-33,43,47H,2-4,7-8,12-13,15-16,18,21-23,26H2,1H3,(H,49,50)(H,52,53)/t32-,33-/m0/s1
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Tested for 50% inhibition of thromboxane synthase (TxS) in human platelets (in vitro)

J Med Chem 37: 1823-32 (1994)


BindingDB Entry DOI: 10.7270/Q280537C
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50038592
PNG
((3-{Hydroxy-[4-(3-methyl-2-pyridin-3-yl-indol-1-yl...)
Show SMILES Cc1c(-c2cccnc2)n(CCCCP(O)(=O)OC2CCc3ccccc3N(CC(O)=O)C2=O)c2ccccc12
Show InChI InChI=1S/C30H32N3O6P/c1-21-24-11-3-5-13-26(24)32(29(21)23-10-8-16-31-19-23)17-6-7-18-40(37,38)39-27-15-14-22-9-2-4-12-25(22)33(30(27)36)20-28(34)35/h2-5,8-13,16,19,27H,6-7,14-15,17-18,20H2,1H3,(H,34,35)(H,37,38)
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Tested for 50% inhibition of thromboxane synthase (TxS) in human platelets (in vitro)

J Med Chem 37: 1823-32 (1994)


BindingDB Entry DOI: 10.7270/Q280537C
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50038595
PNG
(CHEMBL301730 | Sodium;{3-[Hydroxy-(4-phenyl-butyl)...)
Show SMILES [O-]C(=O)CN1c2ccccc2CCC(OP([O-])(=O)CCCCc2ccccc2)C1=O
Show InChI InChI=1S/C22H26NO6P/c24-21(25)16-23-19-12-5-4-11-18(19)13-14-20(22(23)26)29-30(27,28)15-7-6-10-17-8-2-1-3-9-17/h1-5,8-9,11-12,20H,6-7,10,13-16H2,(H,24,25)(H,27,28)/p-2
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Tested for 50% inhibition of Angiotensin converting enzyme(ACE) obtained from rabbit lung (in vitro)

J Med Chem 37: 1823-32 (1994)


BindingDB Entry DOI: 10.7270/Q280537C
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50038592
PNG
((3-{Hydroxy-[4-(3-methyl-2-pyridin-3-yl-indol-1-yl...)
Show SMILES Cc1c(-c2cccnc2)n(CCCCP(O)(=O)OC2CCc3ccccc3N(CC(O)=O)C2=O)c2ccccc12
Show InChI InChI=1S/C30H32N3O6P/c1-21-24-11-3-5-13-26(24)32(29(21)23-10-8-16-31-19-23)17-6-7-18-40(37,38)39-27-15-14-22-9-2-4-12-25(22)33(30(27)36)20-28(34)35/h2-5,8-13,16,19,27H,6-7,14-15,17-18,20H2,1H3,(H,34,35)(H,37,38)
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Tested for 50% inhibition of Angiotensin converting enzyme(ACE) obtained from rabbit lung (in vitro)

J Med Chem 37: 1823-32 (1994)


BindingDB Entry DOI: 10.7270/Q280537C
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50038584
PNG
((S)-1-(4-Carboxy-8-imidazo[1,5-a]pyridin-5-yl-octa...)
Show SMILES OC(=O)C(CCCCc1cccc2cncn12)CCC(=O)N1[C@@H](Cc2ccccc12)C(O)=O
Show InChI InChI=1S/C25H27N3O5/c29-23(28-21-11-4-2-7-18(21)14-22(28)25(32)33)13-12-17(24(30)31)6-1-3-8-19-9-5-10-20-15-26-16-27(19)20/h2,4-5,7,9-11,15-17,22H,1,3,6,8,12-14H2,(H,30,31)(H,32,33)/t17?,22-/m0/s1
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Tested for 50% inhibition of thromboxane synthase (TxS) in human platelets (in vitro)

J Med Chem 37: 1823-32 (1994)


BindingDB Entry DOI: 10.7270/Q280537C
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50038581
PNG
(8-(3-Methyl-2-pyridin-3-yl-indol-1-yl)-octanoic ac...)
Show SMILES Cc1c(-c2cccnc2)n(CCCCCCCC(=O)O[C@@H]2C[C@H](N[C@@H](CCc3ccccc3)C(O)=O)C(=O)N(CC(O)=O)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C44H48N4O7/c1-30-33-18-9-11-20-37(33)47(42(30)32-17-14-25-45-28-32)26-13-4-2-3-8-22-41(51)55-39-27-36(46-35(44(53)54)24-23-31-15-6-5-7-16-31)43(52)48(29-40(49)50)38-21-12-10-19-34(38)39/h5-7,9-12,14-21,25,28,35-36,39,46H,2-4,8,13,22-24,26-27,29H2,1H3,(H,49,50)(H,53,54)/t35-,36-,39+/m0/s1
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Tested for 50% inhibition of Angiotensin converting enzyme(ACE) obtained from rabbit lung (in vitro)

J Med Chem 37: 1823-32 (1994)


BindingDB Entry DOI: 10.7270/Q280537C
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50038588
PNG
(CHEMBL52471 | [4-(3-Methyl-2-pyridin-3-yl-indol-1-...)
Show SMILES Cc1c(-c2cccnc2)n(CCCCP(O)(O)=O)c2ccccc12
Show InChI InChI=1S/C18H21N2O3P/c1-14-16-8-2-3-9-17(16)20(11-4-5-12-24(21,22)23)18(14)15-7-6-10-19-13-15/h2-3,6-10,13H,4-5,11-12H2,1H3,(H2,21,22,23)
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Tested for 50% inhibition of thromboxane synthase (TxS) in human platelets (in vitro)

J Med Chem 37: 1823-32 (1994)


BindingDB Entry DOI: 10.7270/Q280537C
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%