Found 17 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Thromboxane-A synthase
(Homo sapiens (Human)) | BDBM50391318
(CHEMBL161422)Show SMILES OC(=O)CCCC\C=C(\c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccc(I)cc2)c1 Show InChI InChI=1S/C26H27IN2O4S/c27-23-11-13-24(14-12-23)34(32,33)29-17-15-20-6-4-7-21(18-20)25(22-8-5-16-28-19-22)9-2-1-3-10-26(30)31/h4-9,11-14,16,18-19,29H,1-3,10,15,17H2,(H,30,31)/b25-9+ | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
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| Article
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition of collagen-induced thromboxane A2 production in human whole blood |
Bioorg Med Chem Lett 1: 699-704 (1991)
Article DOI: 10.1016/S0960-894X(01)81051-9
BindingDB Entry DOI: 10.7270/Q2WD41RM |
More data for this
Ligand-Target Pair | |
Thromboxane-A synthase
(Homo sapiens (Human)) | BDBM50003795
(5-[1-Pyridin-3-yl-1-(3-trifluoromethyl-phenyl)-met...)Show SMILES OC(=O)CCCCO\N=C(\c1cccnc1)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C18H17F3N2O3/c19-18(20,21)15-7-3-5-13(11-15)17(14-6-4-9-22-12-14)23-26-10-2-1-8-16(24)25/h3-7,9,11-12H,1-2,8,10H2,(H,24,25)/b23-17+ | KEGG
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MCE
PC cid
PC sid
UniChem
Similars
| DrugBank
Article
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition of collagen-induced thromboxane A2 production in human whole blood |
Bioorg Med Chem Lett 1: 699-704 (1991)
Article DOI: 10.1016/S0960-894X(01)81051-9
BindingDB Entry DOI: 10.7270/Q2WD41RM |
More data for this
Ligand-Target Pair | |
Thromboxane-A synthase
(Homo sapiens (Human)) | BDBM50391324
(CHEMBL348790 | GR-85305)Show SMILES OC(=O)CCC\C=C(\c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccc(I)cc2)c1 Show InChI InChI=1S/C25H25IN2O4S/c26-22-10-12-23(13-11-22)33(31,32)28-16-14-19-5-3-6-20(17-19)24(8-1-2-9-25(29)30)21-7-4-15-27-18-21/h3-8,10-13,15,17-18,28H,1-2,9,14,16H2,(H,29,30)/b24-8+ | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition of collagen-induced thromboxane A2 production in human whole blood |
Bioorg Med Chem Lett 1: 699-704 (1991)
Article DOI: 10.1016/S0960-894X(01)81051-9
BindingDB Entry DOI: 10.7270/Q2WD41RM |
More data for this
Ligand-Target Pair | |
Thromboxane-A synthase
(Homo sapiens (Human)) | BDBM50391317
(CHEMBL162641 | GR-108774)Show SMILES CC(C)(CNS(=O)(=O)c1ccc(I)cc1)c1cccc(c1)C(=C/CCCC(O)=O)\c1cccnc1 Show InChI InChI=1S/C27H29IN2O4S/c1-27(2,19-30-35(33,34)24-14-12-23(28)13-15-24)22-9-5-7-20(17-22)25(10-3-4-11-26(31)32)21-8-6-16-29-18-21/h5-10,12-18,30H,3-4,11,19H2,1-2H3,(H,31,32)/b25-10+ | KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
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UniChem
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| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition of collagen-induced thromboxane A2 production in human whole blood |
Bioorg Med Chem Lett 1: 699-704 (1991)
Article DOI: 10.1016/S0960-894X(01)81051-9
BindingDB Entry DOI: 10.7270/Q2WD41RM |
More data for this
Ligand-Target Pair | |
Thromboxane-A synthase
(Homo sapiens (Human)) | BDBM50391322
(CHEMBL351657)Show SMILES OC(=O)CCC\C=C(\c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccc(F)cc2)c1 Show InChI InChI=1S/C25H25FN2O4S/c26-22-10-12-23(13-11-22)33(31,32)28-16-14-19-5-3-6-20(17-19)24(8-1-2-9-25(29)30)21-7-4-15-27-18-21/h3-8,10-13,15,17-18,28H,1-2,9,14,16H2,(H,29,30)/b24-8+ | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition of collagen-induced thromboxane A2 production in human whole blood |
Bioorg Med Chem Lett 1: 699-704 (1991)
Article DOI: 10.1016/S0960-894X(01)81051-9
BindingDB Entry DOI: 10.7270/Q2WD41RM |
More data for this
Ligand-Target Pair | |
Thromboxane-A synthase
(Homo sapiens (Human)) | BDBM50391321
(CHEMBL162879)Show SMILES OC(=O)CCC\C=C(\c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)c1 Show InChI InChI=1S/C25H25N3O6S/c29-25(30)9-2-1-8-24(21-7-4-15-26-18-21)20-6-3-5-19(17-20)14-16-27-35(33,34)23-12-10-22(11-13-23)28(31)32/h3-8,10-13,15,17-18,27H,1-2,9,14,16H2,(H,29,30)/b24-8+ | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition of collagen-induced thromboxane A2 production in human whole blood |
Bioorg Med Chem Lett 1: 699-704 (1991)
Article DOI: 10.1016/S0960-894X(01)81051-9
BindingDB Entry DOI: 10.7270/Q2WD41RM |
More data for this
Ligand-Target Pair | |
Thromboxane-A synthase
(Homo sapiens (Human)) | BDBM50391319
(CHEMBL164109)Show SMILES OC(=O)CCC\C=C(\c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccccc2[N+]([O-])=O)c1 Show InChI InChI=1S/C25H25N3O6S/c29-25(30)13-4-1-10-22(21-9-6-15-26-18-21)20-8-5-7-19(17-20)14-16-27-35(33,34)24-12-3-2-11-23(24)28(31)32/h2-3,5-12,15,17-18,27H,1,4,13-14,16H2,(H,29,30)/b22-10+ | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition of collagen-induced thromboxane A2 production in human whole blood |
Bioorg Med Chem Lett 1: 699-704 (1991)
Article DOI: 10.1016/S0960-894X(01)81051-9
BindingDB Entry DOI: 10.7270/Q2WD41RM |
More data for this
Ligand-Target Pair | |
Thromboxane-A synthase
(Homo sapiens (Human)) | BDBM50391325
(CHEMBL159447)Show SMILES OC(=O)CCC\C=C(\c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C25H26N2O4S/c28-25(29)14-5-4-13-24(22-10-7-16-26-19-22)21-9-6-8-20(18-21)15-17-27-32(30,31)23-11-2-1-3-12-23/h1-3,6-13,16,18-19,27H,4-5,14-15,17H2,(H,28,29)/b24-13+ | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition of collagen-induced thromboxane A2 production in human whole blood |
Bioorg Med Chem Lett 1: 699-704 (1991)
Article DOI: 10.1016/S0960-894X(01)81051-9
BindingDB Entry DOI: 10.7270/Q2WD41RM |
More data for this
Ligand-Target Pair | |
Thromboxane-A synthase
(Homo sapiens (Human)) | BDBM50391316
(CHEMBL422017)Show SMILES OC(=O)CCC\C=C(\c1cccnc1)c1cccc(CCCNS(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C26H28N2O4S/c29-26(30)16-5-4-15-25(23-12-8-17-27-20-23)22-11-6-9-21(19-22)10-7-18-28-33(31,32)24-13-2-1-3-14-24/h1-3,6,8-9,11-15,17,19-20,28H,4-5,7,10,16,18H2,(H,29,30)/b25-15+ | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition of collagen-induced thromboxane A2 production in human whole blood |
Bioorg Med Chem Lett 1: 699-704 (1991)
Article DOI: 10.1016/S0960-894X(01)81051-9
BindingDB Entry DOI: 10.7270/Q2WD41RM |
More data for this
Ligand-Target Pair | |
Thromboxane-A synthase
(Homo sapiens (Human)) | BDBM50391327
(CHEMBL159936)Show SMILES OC(=O)CCC\C=C(\c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 Show InChI InChI=1S/C25H24Cl2N2O4S/c26-23-11-10-21(16-24(23)27)34(32,33)29-14-12-18-5-3-6-19(15-18)22(8-1-2-9-25(30)31)20-7-4-13-28-17-20/h3-8,10-11,13,15-17,29H,1-2,9,12,14H2,(H,30,31)/b22-8+ | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition of collagen-induced thromboxane A2 production in human whole blood |
Bioorg Med Chem Lett 1: 699-704 (1991)
Article DOI: 10.1016/S0960-894X(01)81051-9
BindingDB Entry DOI: 10.7270/Q2WD41RM |
More data for this
Ligand-Target Pair | |
Thromboxane-A synthase
(Homo sapiens (Human)) | BDBM50391323
(CHEMBL347812)Show SMILES OC(=O)CC\C=C(\c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C24H24N2O4S/c27-24(28)13-5-12-23(21-9-6-15-25-18-21)20-8-4-7-19(17-20)14-16-26-31(29,30)22-10-2-1-3-11-22/h1-4,6-12,15,17-18,26H,5,13-14,16H2,(H,27,28)/b23-12+ | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition of collagen-induced thromboxane A2 production in human whole blood |
Bioorg Med Chem Lett 1: 699-704 (1991)
Article DOI: 10.1016/S0960-894X(01)81051-9
BindingDB Entry DOI: 10.7270/Q2WD41RM |
More data for this
Ligand-Target Pair | |
Thromboxane-A synthase
(Homo sapiens (Human)) | BDBM50010960
((E)-7-Phenyl-7-pyridin-3-yl-hept-6-enoic acid | 7-...)Show InChI InChI=1S/C18H19NO2/c20-18(21)12-6-2-5-11-17(15-8-3-1-4-9-15)16-10-7-13-19-14-16/h1,3-4,7-11,13-14H,2,5-6,12H2,(H,20,21)/b17-11+ | KEGG
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| Article
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition of collagen-induced thromboxane A2 production in human whole blood |
Bioorg Med Chem Lett 1: 699-704 (1991)
Article DOI: 10.1016/S0960-894X(01)81051-9
BindingDB Entry DOI: 10.7270/Q2WD41RM |
More data for this
Ligand-Target Pair | |
Thromboxane-A synthase
(Homo sapiens (Human)) | BDBM50391326
(CHEMBL159481)Show SMILES OC(=O)CCCCO\N=C(\c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccc(I)cc2)c1 Show InChI InChI=1S/C25H26IN3O5S/c26-22-9-11-23(12-10-22)35(32,33)28-15-13-19-5-3-6-20(17-19)25(21-7-4-14-27-18-21)29-34-16-2-1-8-24(30)31/h3-7,9-12,14,17-18,28H,1-2,8,13,15-16H2,(H,30,31)/b29-25+ | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition of collagen-induced thromboxane A2 production in human whole blood |
Bioorg Med Chem Lett 1: 699-704 (1991)
Article DOI: 10.1016/S0960-894X(01)81051-9
BindingDB Entry DOI: 10.7270/Q2WD41RM |
More data for this
Ligand-Target Pair | |
Thromboxane-A synthase
(Homo sapiens (Human)) | BDBM50391315
(CHEMBL163276)Show SMILES OC(=O)CCCO\N=C(\c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccc(I)cc2)c1 Show InChI InChI=1S/C24H24IN3O5S/c25-21-8-10-22(11-9-21)34(31,32)27-14-12-18-4-1-5-19(16-18)24(20-6-2-13-26-17-20)28-33-15-3-7-23(29)30/h1-2,4-6,8-11,13,16-17,27H,3,7,12,14-15H2,(H,29,30)/b28-24+ | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition of collagen-induced thromboxane A2 production in human whole blood |
Bioorg Med Chem Lett 1: 699-704 (1991)
Article DOI: 10.1016/S0960-894X(01)81051-9
BindingDB Entry DOI: 10.7270/Q2WD41RM |
More data for this
Ligand-Target Pair | |
Thromboxane-A synthase
(Homo sapiens (Human)) | BDBM50391314
(CHEMBL159979)Show SMILES CC(C)(CNS(=O)(=O)c1ccc(I)cc1)c1cccc(c1)C(=N/OCCC(O)=O)\c1cccnc1 Show InChI InChI=1S/C25H26IN3O5S/c1-25(2,17-28-35(32,33)22-10-8-21(26)9-11-22)20-7-3-5-18(15-20)24(19-6-4-13-27-16-19)29-34-14-12-23(30)31/h3-11,13,15-16,28H,12,14,17H2,1-2H3,(H,30,31)/b29-24+ | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition of collagen-induced thromboxane A2 production in human whole blood |
Bioorg Med Chem Lett 1: 699-704 (1991)
Article DOI: 10.1016/S0960-894X(01)81051-9
BindingDB Entry DOI: 10.7270/Q2WD41RM |
More data for this
Ligand-Target Pair | |
Thromboxane-A synthase
(Homo sapiens (Human)) | BDBM50391328
(CHEMBL161253 | GR-103237)Show SMILES OC(=O)CCO\N=C(\c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccc(I)cc2)c1 Show InChI InChI=1S/C23H22IN3O5S/c24-20-6-8-21(9-7-20)33(30,31)26-13-10-17-3-1-4-18(15-17)23(19-5-2-12-25-16-19)27-32-14-11-22(28)29/h1-9,12,15-16,26H,10-11,13-14H2,(H,28,29)/b27-23+ | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 501 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition of collagen-induced thromboxane A2 production in human whole blood |
Bioorg Med Chem Lett 1: 699-704 (1991)
Article DOI: 10.1016/S0960-894X(01)81051-9
BindingDB Entry DOI: 10.7270/Q2WD41RM |
More data for this
Ligand-Target Pair | |
Thromboxane-A synthase
(Homo sapiens (Human)) | BDBM50391320
(CHEMBL159775)Show SMILES OC(=O)CO\N=C(\c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccc(I)cc2)c1 Show InChI InChI=1S/C22H20IN3O5S/c23-19-6-8-20(9-7-19)32(29,30)25-12-10-16-3-1-4-17(13-16)22(26-31-15-21(27)28)18-5-2-11-24-14-18/h1-9,11,13-14,25H,10,12,15H2,(H,27,28)/b26-22+ | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | <1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition of collagen-induced thromboxane A2 production in human whole blood |
Bioorg Med Chem Lett 1: 699-704 (1991)
Article DOI: 10.1016/S0960-894X(01)81051-9
BindingDB Entry DOI: 10.7270/Q2WD41RM |
More data for this
Ligand-Target Pair | |
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