Found 13 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)) | BDBM50280074
((Z)-6-{(2S,4S,5R)-2-[1-Methyl-1-(4-methyl-2-nitro-...)Show SMILES Cc1ccc(OC(C)(C)[C@H]2OC[C@@H](C\C=C/CCC(O)=O)[C@H](O2)c2cncs2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C23H28N2O7S/c1-15-9-10-18(17(11-15)25(28)29)32-23(2,3)22-30-13-16(7-5-4-6-8-20(26)27)21(31-22)19-12-24-14-33-19/h4-5,9-12,14,16,21-22H,6-8,13H2,1-3H3,(H,26,27)/b5-4-/t16-,21+,22+/m1/s1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| Article
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human Thromboxane A2 synthase |
Bioorg Med Chem Lett 2: 1181-1186 (1992)
Article DOI: 10.1016/S0960-894X(00)80210-3
BindingDB Entry DOI: 10.7270/Q2SJ1KHD |
More data for this
Ligand-Target Pair | |
Thromboxane-A synthase
(Homo sapiens (Human)) | BDBM50280066
((Z)-6-{(2S,4S,5R)-2-[1-Methyl-1-(4-methyl-2-nitro-...)Show SMILES Cc1ccc(OC(C)(C)[C@H]2OC[C@@H](C\C=C/CCC(O)=O)[C@H](O2)c2cccnc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C25H30N2O7/c1-17-11-12-21(20(14-17)27(30)31)34-25(2,3)24-32-16-19(8-5-4-6-10-22(28)29)23(33-24)18-9-7-13-26-15-18/h4-5,7,9,11-15,19,23-24H,6,8,10,16H2,1-3H3,(H,28,29)/b5-4-/t19-,23-,24+/m1/s1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human Thromboxane A2 synthase |
Bioorg Med Chem Lett 2: 1181-1186 (1992)
Article DOI: 10.1016/S0960-894X(00)80210-3
BindingDB Entry DOI: 10.7270/Q2SJ1KHD |
More data for this
Ligand-Target Pair | |
Thromboxane-A synthase
(Homo sapiens (Human)) | BDBM50280073
((Z)-6-{(2S,4S,5R)-4-(3-Methyl-3H-imidazol-4-yl)-2-...)Show SMILES Cc1ccc(OC(C)(C)[C@H]2OC[C@@H](C\C=C/CCC(O)=O)[C@H](O2)c2cncn2C)c(c1)[N+]([O-])=O Show InChI InChI=1S/C24H31N3O7/c1-16-10-11-20(18(12-16)27(30)31)34-24(2,3)23-32-14-17(8-6-5-7-9-21(28)29)22(33-23)19-13-25-15-26(19)4/h5-6,10-13,15,17,22-23H,7-9,14H2,1-4H3,(H,28,29)/b6-5-/t17-,22+,23+/m1/s1 | 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
Inhibition of human Thromboxane A2 synthase |
Bioorg Med Chem Lett 2: 1181-1186 (1992)
Article DOI: 10.1016/S0960-894X(00)80210-3
BindingDB Entry DOI: 10.7270/Q2SJ1KHD |
More data for this
Ligand-Target Pair | |
Thromboxane-A synthase
(Homo sapiens (Human)) | BDBM50280072
((Z)-6-[(4S,5R)-2,2-Dimethyl-4-(3-methyl-3H-imidazo...)Show SMILES Cn1cncc1[C@H]1OC(C)(C)OC[C@H]1C\C=C/CCC(O)=O Show InChI InChI=1S/C16H24N2O4/c1-16(2)21-10-12(7-5-4-6-8-14(19)20)15(22-16)13-9-17-11-18(13)3/h4-5,9,11-12,15H,6-8,10H2,1-3H3,(H,19,20)/b5-4-/t12-,15+/m1/s1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human Thromboxane A2 synthase |
Bioorg Med Chem Lett 2: 1181-1186 (1992)
Article DOI: 10.1016/S0960-894X(00)80210-3
BindingDB Entry DOI: 10.7270/Q2SJ1KHD |
More data for this
Ligand-Target Pair | |
Thromboxane-A synthase
(Homo sapiens (Human)) | BDBM50280063
((Z)-6-((4S,5R)-2,2-Dimethyl-4-thiazol-5-yl-[1,3]di...)Show SMILES CC1(C)OC[C@@H](C\C=C/CCC(O)=O)[C@H](O1)c1cncs1 Show InChI InChI=1S/C15H21NO4S/c1-15(2)19-9-11(6-4-3-5-7-13(17)18)14(20-15)12-8-16-10-21-12/h3-4,8,10-11,14H,5-7,9H2,1-2H3,(H,17,18)/b4-3-/t11-,14+/m1/s1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human Thromboxane A2 synthase |
Bioorg Med Chem Lett 2: 1181-1186 (1992)
Article DOI: 10.1016/S0960-894X(00)80210-3
BindingDB Entry DOI: 10.7270/Q2SJ1KHD |
More data for this
Ligand-Target Pair | |
Thromboxane-A synthase
(Homo sapiens (Human)) | BDBM50280070
((Z)-6-((4S,5R)-2,2-Dimethyl-4-pyridin-3-yl-[1,3]di...)Show SMILES CC1(C)OC[C@@H](C\C=C/CCC(O)=O)[C@H](O1)c1cccnc1 Show InChI InChI=1S/C17H23NO4/c1-17(2)21-12-14(7-4-3-5-9-15(19)20)16(22-17)13-8-6-10-18-11-13/h3-4,6,8,10-11,14,16H,5,7,9,12H2,1-2H3,(H,19,20)/b4-3-/t14-,16-/m1/s1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human Thromboxane A2 synthase |
Bioorg Med Chem Lett 2: 1181-1186 (1992)
Article DOI: 10.1016/S0960-894X(00)80210-3
BindingDB Entry DOI: 10.7270/Q2SJ1KHD |
More data for this
Ligand-Target Pair | |
Thromboxane-A synthase
(Homo sapiens (Human)) | BDBM50280067
((Z)-6-{(2S,4S,5R)-4-(3-Hexyl-3H-imidazol-4-yl)-2-[...)Show SMILES CCCCCCn1cncc1[C@H]1O[C@H](OC[C@H]1C\C=C/CCC(O)=O)C(C)(C)Oc1ccc(C)cc1[N+]([O-])=O Show InChI InChI=1S/C29H41N3O7/c1-5-6-7-11-16-31-20-30-18-24(31)27-22(12-9-8-10-13-26(33)34)19-37-28(38-27)29(3,4)39-25-15-14-21(2)17-23(25)32(35)36/h8-9,14-15,17-18,20,22,27-28H,5-7,10-13,16,19H2,1-4H3,(H,33,34)/b9-8-/t22-,27+,28+/m1/s1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 490 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human Thromboxane A2 synthase |
Bioorg Med Chem Lett 2: 1181-1186 (1992)
Article DOI: 10.1016/S0960-894X(00)80210-3
BindingDB Entry DOI: 10.7270/Q2SJ1KHD |
More data for this
Ligand-Target Pair | |
Thromboxane-A synthase
(Homo sapiens (Human)) | BDBM50280069
((Z)-6-[(4S,5R)-4-(3-Hexyl-3H-imidazol-4-yl)-2,2-di...)Show SMILES CCCCCCn1cncc1[C@H]1OC(C)(C)OC[C@H]1C\C=C/CCC(O)=O Show InChI InChI=1S/C21H34N2O4/c1-4-5-6-10-13-23-16-22-14-18(23)20-17(15-26-21(2,3)27-20)11-8-7-9-12-19(24)25/h7-8,14,16-17,20H,4-6,9-13,15H2,1-3H3,(H,24,25)/b8-7-/t17-,20+/m1/s1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human Thromboxane A2 synthase |
Bioorg Med Chem Lett 2: 1181-1186 (1992)
Article DOI: 10.1016/S0960-894X(00)80210-3
BindingDB Entry DOI: 10.7270/Q2SJ1KHD |
More data for this
Ligand-Target Pair | |
Thromboxane-A synthase
(Homo sapiens (Human)) | BDBM50280071
((Z)-6-((4S,5R)-2,2-Dimethyl-4-thiophen-2-yl-[1,3]d...)Show SMILES CC1(C)OC[C@@H](C\C=C/CCC(O)=O)[C@H](O1)c1cccs1 Show InChI InChI=1S/C16H22O4S/c1-16(2)19-11-12(7-4-3-5-9-14(17)18)15(20-16)13-8-6-10-21-13/h3-4,6,8,10,12,15H,5,7,9,11H2,1-2H3,(H,17,18)/b4-3-/t12-,15+/m1/s1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human Thromboxane A2 synthase |
Bioorg Med Chem Lett 2: 1181-1186 (1992)
Article DOI: 10.1016/S0960-894X(00)80210-3
BindingDB Entry DOI: 10.7270/Q2SJ1KHD |
More data for this
Ligand-Target Pair | |
Thromboxane-A synthase
(Homo sapiens (Human)) | BDBM50280068
((Z)-6-((4S,5R)-2,2-Dimethyl-4-pyridazin-4-yl-[1,3]...)Show SMILES CC1(C)OC[C@@H](C\C=C/CCC(O)=O)[C@H](O1)c1ccnnc1 Show InChI InChI=1S/C16H22N2O4/c1-16(2)21-11-13(6-4-3-5-7-14(19)20)15(22-16)12-8-9-17-18-10-12/h3-4,8-10,13,15H,5-7,11H2,1-2H3,(H,19,20)/b4-3-/t13-,15-/m1/s1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| n/a | n/a | 7.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human Thromboxane A2 synthase |
Bioorg Med Chem Lett 2: 1181-1186 (1992)
Article DOI: 10.1016/S0960-894X(00)80210-3
BindingDB Entry DOI: 10.7270/Q2SJ1KHD |
More data for this
Ligand-Target Pair | |
Thromboxane-A synthase
(Homo sapiens (Human)) | BDBM50280075
((Z)-6-((4S,5R)-2,2-Dimethyl-4-pyrimidin-5-yl-[1,3]...)Show SMILES CC1(C)OC[C@@H](C\C=C/CCC(O)=O)[C@H](O1)c1cncnc1 Show InChI InChI=1S/C16H22N2O4/c1-16(2)21-10-12(6-4-3-5-7-14(19)20)15(22-16)13-8-17-11-18-9-13/h3-4,8-9,11-12,15H,5-7,10H2,1-2H3,(H,19,20)/b4-3-/t12-,15+/m1/s1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human Thromboxane A2 synthase |
Bioorg Med Chem Lett 2: 1181-1186 (1992)
Article DOI: 10.1016/S0960-894X(00)80210-3
BindingDB Entry DOI: 10.7270/Q2SJ1KHD |
More data for this
Ligand-Target Pair | |
Thromboxane-A synthase
(Homo sapiens (Human)) | BDBM50280064
((Z)-6-((4S,5R)-2,2-Dimethyl-4-oxazol-5-yl-[1,3]dio...)Show SMILES CC1(C)OC[C@@H](C\C=C/CCC(O)=O)[C@H](O1)c1cnco1 Show InChI InChI=1S/C15H21NO5/c1-15(2)20-9-11(6-4-3-5-7-13(17)18)14(21-15)12-8-16-10-19-12/h3-4,8,10-11,14H,5-7,9H2,1-2H3,(H,17,18)/b4-3-/t11-,14+/m1/s1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human Thromboxane A2 synthase |
Bioorg Med Chem Lett 2: 1181-1186 (1992)
Article DOI: 10.1016/S0960-894X(00)80210-3
BindingDB Entry DOI: 10.7270/Q2SJ1KHD |
More data for this
Ligand-Target Pair | |
Thromboxane-A synthase
(Homo sapiens (Human)) | BDBM50280065
((Z)-6-((4S,5R)-2,2-Dimethyl-4-pyrazin-2-yl-[1,3]di...)Show SMILES CC1(C)OC[C@@H](C\C=C/CCC(O)=O)[C@H](O1)c1cnccn1 Show InChI InChI=1S/C16H22N2O4/c1-16(2)21-11-12(6-4-3-5-7-14(19)20)15(22-16)13-10-17-8-9-18-13/h3-4,8-10,12,15H,5-7,11H2,1-2H3,(H,19,20)/b4-3-/t12-,15+/m1/s1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human Thromboxane A2 synthase |
Bioorg Med Chem Lett 2: 1181-1186 (1992)
Article DOI: 10.1016/S0960-894X(00)80210-3
BindingDB Entry DOI: 10.7270/Q2SJ1KHD |
More data for this
Ligand-Target Pair | |
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