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PubMed code 7199088

Compile data set for download or QSAR
Found 50 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
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028719
PNG
((2E)-3-[3-(1H-imidazol-1-ylmethyl)phenyl]-2-methyl...)
Show SMILES C\C(=C/c1cccc(Cn2ccnc2)c1)C(O)=O
Show InChI InChI=1S/C14H14N2O2/c1-11(14(17)18)7-12-3-2-4-13(8-12)9-16-6-5-15-10-16/h2-8,10H,9H2,1H3,(H,17,18)/b11-7+
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028737
PNG
(4-(3-Imidazol-1-yl-propyl)-benzoic acid; hydrochlo...)
Show SMILES OC(=O)c1ccc(CCCn2ccnc2)cc1
Show InChI InChI=1S/C13H14N2O2/c16-13(17)12-5-3-11(4-6-12)2-1-8-15-9-7-14-10-15/h3-7,9-10H,1-2,8H2,(H,16,17)
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n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028709
PNG
(8-Imidazol-1-yl-2,2-dimethyl-oct-6-ynoic acid; hyd...)
Show SMILES CC(C)(CCCC#CCn1ccnc1)C(O)=O
Show InChI InChI=1S/C13H18N2O2/c1-13(2,12(16)17)7-5-3-4-6-9-15-10-8-14-11-15/h8,10-11H,3,5,7,9H2,1-2H3,(H,16,17)
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n/an/a 9n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50017896
PNG
((E)-3-(4-Imidazol-1-ylmethyl-phenyl)-acrylic acid ...)
Show SMILES OC(=O)\C=C\c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C13H12N2O2/c16-13(17)6-5-11-1-3-12(4-2-11)9-15-8-7-14-10-15/h1-8,10H,9H2,(H,16,17)/b6-5+
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n/an/a 11n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM7962
PNG
(4-(2-Imidazol-1-yl-ethoxy)-benzoic acid; hydrochlo...)
Show SMILES OC(=O)c1ccc(OCCn2ccnc2)cc1
Show InChI InChI=1S/C12H12N2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H,15,16)
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n/an/a 14n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028713
PNG
(8-Imidazol-1-yl-2-methylene-octanoic acid; hydroch...)
Show SMILES OC(=O)C(=C)CCCCCCn1ccnc1
Show InChI InChI=1S/C12H18N2O2/c1-11(12(15)16)6-4-2-3-5-8-14-9-7-13-10-14/h7,9-10H,1-6,8H2,(H,15,16)
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n/an/a 16n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028734
PNG
(8-Imidazol-1-yl-oct-2-enoic acid | CHEMBL14771)
Show SMILES OC(=O)\C=C/CCCCCn1ccnc1
Show InChI InChI=1S/C11H16N2O2/c14-11(15)6-4-2-1-3-5-8-13-9-7-12-10-13/h4,6-7,9-10H,1-3,5,8H2,(H,14,15)/b6-4-
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n/an/a 16n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028735
PNG
(2-Chloro-8-imidazol-1-yl-octanoic acid; hydrochlor...)
Show SMILES OC(=O)C(Cl)CCCCCCn1ccnc1
Show InChI InChI=1S/C11H17ClN2O2/c12-10(11(15)16)5-3-1-2-4-7-14-8-6-13-9-14/h6,8-10H,1-5,7H2,(H,15,16)
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n/an/a 25n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028707
PNG
(2-(4-Imidazol-1-ylmethyl-phenoxy)-2-methyl-propion...)
Show SMILES CC(C)(Oc1ccc(Cn2ccnc2)cc1)C(O)=O
Show InChI InChI=1S/C14H16N2O3/c1-14(2,13(17)18)19-12-5-3-11(4-6-12)9-16-8-7-15-10-16/h3-8,10H,9H2,1-2H3,(H,17,18)
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028741
PNG
(8-Imidazol-1-yl-oct-6-ynoic acid; hydrochloride | ...)
Show SMILES OC(=O)CCCCC#CCn1ccnc1
Show InChI InChI=1S/C11H14N2O2/c14-11(15)6-4-2-1-3-5-8-13-9-7-12-10-13/h7,9-10H,1-2,4,6,8H2,(H,14,15)
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n/an/a 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028742
PNG
(8-Imidazol-1-yl-2-methyl-octanoic acid; hydrochlor...)
Show SMILES CC(CCCCCCn1ccnc1)C(O)=O
Show InChI InChI=1S/C12H20N2O2/c1-11(12(15)16)6-4-2-3-5-8-14-9-7-13-10-14/h7,9-11H,2-6,8H2,1H3,(H,15,16)
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028724
PNG
(8-Imidazol-1-yl-2,2-dimethyl-octanoic acid; hydroc...)
Show SMILES CC(C)(CCCCCCn1ccnc1)C(O)=O
Show InChI InChI=1S/C13H22N2O2/c1-13(2,12(16)17)7-5-3-4-6-9-15-10-8-14-11-15/h8,10-11H,3-7,9H2,1-2H3,(H,16,17)
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM92497
PNG
(CHEMBL542051 | Omega-imidazolyl octanoic acid)
Show SMILES OC(=O)CCCCCCCn1ccnc1
Show InChI InChI=1S/C11H18N2O2/c14-11(15)6-4-2-1-3-5-8-13-9-7-12-10-13/h7,9-10H,1-6,8H2,(H,14,15)
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n/an/a 32n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028720
PNG
(3-(3-Imidazol-1-ylmethyl-phenyl)-acrylic acid; hyd...)
Show SMILES OC(=O)\C=C\c1cccc(Cn2ccnc2)c1
Show InChI InChI=1S/C13H12N2O2/c16-13(17)5-4-11-2-1-3-12(8-11)9-15-7-6-14-10-15/h1-8,10H,9H2,(H,16,17)/b5-4+
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028743
PNG
(8-Imidazol-1-yl-2-phenyl-octanoic acid; hydrochlor...)
Show SMILES OC(=O)C(CCCCCCn1ccnc1)c1ccccc1
Show InChI InChI=1S/C17H22N2O2/c20-17(21)16(15-8-4-3-5-9-15)10-6-1-2-7-12-19-13-11-18-14-19/h3-5,8-9,11,13-14,16H,1-2,6-7,10,12H2,(H,20,21)
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n/an/a 38n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028727
PNG
(2-(4-Imidazol-1-ylmethyl-phenoxy)-propionic acid; ...)
Show SMILES CC(Oc1ccc(Cn2ccnc2)cc1)C(O)=O
Show InChI InChI=1S/C13H14N2O3/c1-10(13(16)17)18-12-4-2-11(3-5-12)8-15-7-6-14-9-15/h2-7,9-10H,8H2,1H3,(H,16,17)
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028714
PNG
(7-Imidazol-1-yl-heptanoic acid; hydrochloride | CH...)
Show SMILES OC(=O)CCCCCCn1ccnc1
Show InChI InChI=1S/C10H16N2O2/c13-10(14)5-3-1-2-4-7-12-8-6-11-9-12/h6,8-9H,1-5,7H2,(H,13,14)
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028722
PNG
(8-Imidazol-1-yl-octa-2,4-dienoic acid; hydrochlori...)
Show SMILES OC(=O)\C=C\C=C\CCCn1ccnc1
Show InChI InChI=1S/C11H14N2O2/c14-11(15)6-4-2-1-3-5-8-13-9-7-12-10-13/h1-2,4,6-7,9-10H,3,5,8H2,(H,14,15)/b2-1+,6-4+
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50025106
PNG
(CHEMBL42341 | CHEMBL544900 | [4-(2H-Imidazol-1-ylm...)
Show SMILES OC(=O)COc1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C12H12N2O3/c15-12(16)8-17-11-3-1-10(2-4-11)7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H,15,16)
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028718
PNG
(8-Imidazol-1-yl-octa-6,7-dienoic acid; hydrochlori...)
Show SMILES OC(=O)CCCCC=C=Cn1ccnc1
Show InChI InChI=1S/C11H14N2O2/c14-11(15)6-4-2-1-3-5-8-13-9-7-12-10-13/h3,7-10H,1-2,4,6H2,(H,14,15)
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028729
PNG
(8-Imidazol-1-yl-oct-2-ynoic acid; hydrochloride | ...)
Show SMILES OC(=O)C#CCCCCCn1ccnc1
Show InChI InChI=1S/C11H14N2O2/c14-11(15)6-4-2-1-3-5-8-13-9-7-12-10-13/h7,9-10H,1-3,5,8H2,(H,14,15)
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028703
PNG
(4-(3-Imidazol-1-yl-propenyl)-benzoic acid; hydroch...)
Show SMILES OC(=O)c1ccc(\C=C\Cn2ccnc2)cc1
Show InChI InChI=1S/C13H12N2O2/c16-13(17)12-5-3-11(4-6-12)2-1-8-15-9-7-14-10-15/h1-7,9-10H,8H2,(H,16,17)/b2-1+
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028745
PNG
(1-(6-Imidazol-1-yl-hexyl)-cyclohexanecarboxylic ac...)
Show SMILES OC(=O)C1(CCCCCCn2ccnc2)CCCCC1
Show InChI InChI=1S/C16H26N2O2/c19-15(20)16(9-5-3-6-10-16)8-4-1-2-7-12-18-13-11-17-14-18/h11,13-14H,1-10,12H2,(H,19,20)
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028739
PNG
(8-Imidazol-1-yl-4,4-dimethyl-oct-2-enoic acid; hyd...)
Show SMILES CC(C)(CCCCn1ccnc1)\C=C\C(O)=O
Show InChI InChI=1S/C13H20N2O2/c1-13(2,7-5-12(16)17)6-3-4-9-15-10-8-14-11-15/h5,7-8,10-11H,3-4,6,9H2,1-2H3,(H,16,17)/b7-5+
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n/an/a 53n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028744
PNG
(3-(4-Imidazol-1-ylmethyl-phenyl)-propionic acid; h...)
Show SMILES OC(=O)CCc1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C13H14N2O2/c16-13(17)6-5-11-1-3-12(4-2-11)9-15-8-7-14-10-15/h1-4,7-8,10H,5-6,9H2,(H,16,17)
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n/an/a 54n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028712
PNG
(8-Imidazol-1-yl-oct-6-enoic acid; hydrochloride | ...)
Show SMILES OC(=O)CCCC\C=C/Cn1ccnc1
Show InChI InChI=1S/C11H16N2O2/c14-11(15)6-4-2-1-3-5-8-13-9-7-12-10-13/h3,5,7,9-10H,1-2,4,6,8H2,(H,14,15)/b5-3-
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n/an/a 56n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028736
PNG
(8-Imidazol-1-yl-oct-2-enoic acid; hydrochloride | ...)
Show SMILES OC(=O)\C=C\CCCCCn1ccnc1
Show InChI InChI=1S/C11H16N2O2/c14-11(15)6-4-2-1-3-5-8-13-9-7-12-10-13/h4,6-7,9-10H,1-3,5,8H2,(H,14,15)/b6-4+
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n/an/a 70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028706
PNG
(8-Imidazol-1-yl-4,4-dimethyl-octanoic acid; hydroc...)
Show SMILES CC(C)(CCCCn1ccnc1)CCC(O)=O
Show InChI InChI=1S/C13H22N2O2/c1-13(2,7-5-12(16)17)6-3-4-9-15-10-8-14-11-15/h8,10-11H,3-7,9H2,1-2H3,(H,16,17)
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n/an/a 71n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028705
PNG
(8-Imidazol-1-yl-8-methyl-nonanoic acid; hydrochlor...)
Show SMILES CC(C)(CCCCCCC(O)=O)n1ccnc1
Show InChI InChI=1S/C13H22N2O2/c1-13(2,15-10-9-14-11-15)8-6-4-3-5-7-12(16)17/h9-11H,3-8H2,1-2H3,(H,16,17)
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n/an/a 90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028728
PNG
(2-(4-Imidazol-1-ylmethyl-phenylsulfanyl)-2-methyl-...)
Show SMILES CC(C)(Sc1ccc(Cn2ccnc2)cc1)C(O)=O
Show InChI InChI=1S/C14H16N2O2S/c1-14(2,13(17)18)19-12-5-3-11(4-6-12)9-16-8-7-15-10-16/h3-8,10H,9H2,1-2H3,(H,17,18)
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n/an/a 95n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028726
PNG
(4-(4-Imidazol-1-yl-phenyl)-butyric acid; hydrochlo...)
Show SMILES OC(=O)CCCc1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C13H14N2O2/c16-13(17)3-1-2-11-4-6-12(7-5-11)15-9-8-14-10-15/h4-10H,1-3H2,(H,16,17)
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n/an/a 120n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028710
PNG
(8-Imidazol-1-yl-1-phenyl-octan-1-one | CHEMBL15351)
Show SMILES O=C(CCCCCCCn1ccnc1)c1ccccc1
Show InChI InChI=1S/C17H22N2O/c20-17(16-9-5-4-6-10-16)11-7-2-1-3-8-13-19-14-12-18-15-19/h4-6,9-10,12,14-15H,1-3,7-8,11,13H2
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n/an/a 134n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028746
PNG
(2-Hydroxy-8-imidazol-1-yl-octanoic acid; hydrochlo...)
Show SMILES OC(CCCCCCn1ccnc1)C(O)=O
Show InChI InChI=1S/C11H18N2O3/c14-10(11(15)16)5-3-1-2-4-7-13-8-6-12-9-13/h6,8-10,14H,1-5,7H2,(H,15,16)
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n/an/a 140n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028749
PNG
(8-Imidazol-1-yl-octa-2,6-dienoic acid; hydrochlori...)
Show SMILES OC(=O)\C=C\CC\C=C/Cn1ccnc1
Show InChI InChI=1S/C11H14N2O2/c14-11(15)6-4-2-1-3-5-8-13-9-7-12-10-13/h3-7,9-10H,1-2,8H2,(H,14,15)/b5-3-,6-4+
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n/an/a 180n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028708
PNG
((2-Imidazol-1-ylmethyl-phenoxy)-acetic acid; hydro...)
Show SMILES OC(=O)COc1ccccc1Cn1ccnc1
Show InChI InChI=1S/C12H12N2O3/c15-12(16)8-17-11-4-2-1-3-10(11)7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H,15,16)
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n/an/a 210n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028731
PNG
(2-Hydroxymethyl-8-imidazol-1-yl-octanoic acid; hyd...)
Show SMILES OCC(CCCCCCn1ccnc1)C(O)=O
Show InChI InChI=1S/C12H20N2O3/c15-9-11(12(16)17)5-3-1-2-4-7-14-8-6-13-10-14/h6,8,10-11,15H,1-5,7,9H2,(H,16,17)
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n/an/a 250n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028717
PNG
(3-[4-(2-Imidazol-1-yl-ethoxy)-phenyl]-acrylic acid...)
Show SMILES OC(=O)\C=C\c1ccc(OCCn2ccnc2)cc1
Show InChI InChI=1S/C14H14N2O3/c17-14(18)6-3-12-1-4-13(5-2-12)19-10-9-16-8-7-15-11-16/h1-8,11H,9-10H2,(H,17,18)/b6-3+
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n/an/a 250n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028747
PNG
(1-Nonyl-1H-imidazole | CHEMBL15181)
Show SMILES CCCCCCCCCn1ccnc1
Show InChI InChI=1S/C12H22N2/c1-2-3-4-5-6-7-8-10-14-11-9-13-12-14/h9,11-12H,2-8,10H2,1H3
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n/an/a 400n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028751
PNG
(8-Imidazol-1-yl-8-methyl-nona-2,4-dienoic acid; hy...)
Show SMILES CC(C)(CC\C=C\C=C\C(O)=O)n1ccnc1
Show InChI InChI=1S/C13H18N2O2/c1-13(2,15-10-9-14-11-15)8-6-4-3-5-7-12(16)17/h3-5,7,9-11H,6,8H2,1-2H3,(H,16,17)/b4-3+,7-5+
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n/an/a 450n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028725
PNG
(2-(6-Imidazol-1-yl-hexyl)-malonic acid; hydrochlor...)
Show SMILES OC(=O)C(CCCCCCn1ccnc1)C(O)=O
Show InChI InChI=1S/C12H18N2O4/c15-11(16)10(12(17)18)5-3-1-2-4-7-14-8-6-13-9-14/h6,8-10H,1-5,7H2,(H,15,16)(H,17,18)
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n/an/a 550n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028748
PNG
(2-Amino-8-imidazol-1-yl-octanoic acid; hydrochlori...)
Show SMILES NC(CCCCCCn1ccnc1)C(O)=O
Show InChI InChI=1S/C11H19N3O2/c12-10(11(15)16)5-3-1-2-4-7-14-8-6-13-9-14/h6,8-10H,1-5,7,12H2,(H,15,16)
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n/an/a>1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028732
PNG
(9-Imidazol-1-yl-nonan-2-one; hydrochloride | CHEMB...)
Show SMILES CC(=O)CCCCCCCn1ccnc1
Show InChI InChI=1S/C12H20N2O/c1-12(15)7-5-3-2-4-6-9-14-10-8-13-11-14/h8,10-11H,2-7,9H2,1H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028721
PNG
(4-(4-Imidazol-1-ylmethyl-phenyl)-butyric acid; hyd...)
Show SMILES OC(=O)CCCc1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C14H16N2O2/c17-14(18)3-1-2-12-4-6-13(7-5-12)10-16-9-8-15-11-16/h4-9,11H,1-3,10H2,(H,17,18)
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n/an/a 1.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028723
PNG
(CHEMBL556014 | [4-(2-Imidazol-1-yl-ethyl)-phenyl]-...)
Show SMILES OC(=O)Cc1ccc(CCn2ccnc2)cc1
Show InChI InChI=1S/C13H14N2O2/c16-13(17)9-12-3-1-11(2-4-12)5-7-15-8-6-14-10-15/h1-4,6,8,10H,5,7,9H2,(H,16,17)
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n/an/a 1.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028716
PNG
(3-(2-Imidazol-1-ylmethyl-phenyl)-acrylic acid; hyd...)
Show SMILES OC(=O)\C=C\c1ccccc1Cn1ccnc1
Show InChI InChI=1S/C13H12N2O2/c16-13(17)6-5-11-3-1-2-4-12(11)9-15-8-7-14-10-15/h1-8,10H,9H2,(H,16,17)/b6-5+
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n/an/a 1.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028738
PNG
(1-[7-(1H-imidazol-1-yl)heptyl]-1H-imidazole | CHEM...)
Show SMILES C(CCCn1ccnc1)CCCn1ccnc1
Show InChI InChI=1S/C13H20N4/c1(2-4-8-16-10-6-14-12-16)3-5-9-17-11-7-15-13-17/h6-7,10-13H,1-5,8-9H2
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n/an/a 2.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028730
PNG
(5-(7-Imidazol-1-yl-heptyl)-1H-tetrazole | CHEMBL15...)
Show SMILES C(CCCc1nnn[nH]1)CCCn1ccnc1
Show InChI InChI=1S/C11H18N6/c1(2-4-6-11-13-15-16-14-11)3-5-8-17-9-7-12-10-17/h7,9-10H,1-6,8H2,(H,13,14,15,16)
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028711
PNG
(1-(8-Methanesulfinyl-octyl)-1H-imidazole | CHEMBL1...)
Show SMILES CS(=O)CCCCCCCCn1ccnc1
Show InChI InChI=1S/C12H22N2OS/c1-16(15)11-7-5-3-2-4-6-9-14-10-8-13-12-14/h8,10,12H,2-7,9,11H2,1H3
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UniProtKB/SwissProt

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n/an/a 3.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028715
PNG
(7-(1H-Imidazol-2-yl)-heptanoic acid; hydrochloride...)
Show SMILES OC(=O)CCCCCCc1ncc[nH]1
Show InChI InChI=1S/C10H16N2O2/c13-10(14)6-4-2-1-3-5-9-11-7-8-12-9/h7-8H,1-6H2,(H,11,12)(H,13,14)
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UniChem

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Article
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028733
PNG
(7-(1H-Imidazol-4-yl)-heptanoic acid; hydrochloride...)
Show SMILES OC(=O)CCCCCCc1cnc[nH]1
Show InChI InChI=1S/C10H16N2O2/c13-10(14)6-4-2-1-3-5-9-7-11-8-12-9/h7-8H,1-6H2,(H,11,12)(H,13,14)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%