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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Thromboxane Alpha' AND taxid = 10090   
Target
(Institution)
LigandTarget
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 Alpha


(MOUSE)
BDBM50008780
PNG
(7-{3-[3-Hydroxy-4-(4-iodo-phenoxy)-but-1-enyl]-7-o...)
Show SMILES O[C@@H](COc1ccc(I)cc1)\C=C\[C@H]1C2CC[C@H](O2)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C23H29IO5/c24-16-7-10-18(11-8-16)28-15-17(25)9-12-20-19(21-13-14-22(20)29-21)5-3-1-2-4-6-23(26)27/h1,3,7-12,17,19-22,25H,2,4-6,13-15H2,(H,26,27)/b3-1-,12-9+/t17-,19-,20-,21+,22?/m1/s1
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0.560n/an/an/an/an/an/an/an/a



Kyoto University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Thromboxane Alpha


(MOUSE)
BDBM50008805
PNG
(7-(3-Benzenesulfonylamino-bicyclo[2.2.1]hept-2-yl)...)
Show SMILES OC(=O)CCC\C=C/C[C@H]1[C@@H]2CCC(C2)C1NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H27NO4S/c22-19(23)11-7-2-1-6-10-18-15-12-13-16(14-15)20(18)21-26(24,25)17-8-4-3-5-9-17/h1,3-6,8-9,15-16,18,20-21H,2,7,10-14H2,(H,22,23)/b6-1-/t15-,16?,18+,20?/m1/s1
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0.680n/an/an/an/an/an/an/an/a



Kyoto University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Thromboxane Alpha


(MOUSE)
BDBM50283049
PNG
((Z)-7-[(1R,2R,3S,5S)-5-(Biphenyl-4-ylmethoxy)-3-hy...)
Show SMILES O[C@H]1C[C@H](OCc2ccc(cc2)-c2ccccc2)[C@H](CC\C=C/CCC(O)=O)[C@H]1N1CCCCC1
Show InChI InChI=1S/C30H39NO4/c32-27-21-28(35-22-23-15-17-25(18-16-23)24-11-5-3-6-12-24)26(13-7-1-2-8-14-29(33)34)30(27)31-19-9-4-10-20-31/h1-3,5-6,11-12,15-18,26-28,30,32H,4,7-10,13-14,19-22H2,(H,33,34)/b2-1-/t26-,27-,28-,30+/m0/s1
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12n/an/an/an/an/an/an/an/a



Kyoto University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Thromboxane Alpha


(MOUSE)
BDBM50008781
PNG
(7-(3-(2-ethyl-N-phenylhydrazinecarboxamide)-7-oxa-...)
Show SMILES OC(=O)CCC\C=C/C[C@H]1[C@@H]2CCC(O2)[C@H]1CNNC(=O)Nc1ccccc1
Show InChI InChI=1S/C21H29N3O4/c25-20(26)11-7-2-1-6-10-16-17(19-13-12-18(16)28-19)14-22-24-21(27)23-15-8-4-3-5-9-15/h1,3-6,8-9,16-19,22H,2,7,10-14H2,(H,25,26)(H2,23,24,27)/b6-1-/t16-,17+,18+,19?/m1/s1
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13n/an/an/an/an/an/an/an/a



Kyoto University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Thromboxane Alpha


(MOUSE)
BDBM81948
PNG
(CAS_89617-02-7 | ONO 11,113 | ONO-11113 | STA2)
Show SMILES CCCCC[C@H](O)\C=C\C1C[C@H]2C[C@H](S2)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C21H34O3S/c1-2-3-6-9-17(22)13-12-16-14-18-15-20(25-18)19(16)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16?,17-,18-,19+,20-/m0/s1
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14n/an/an/an/an/an/an/an/a



Kyoto University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Thromboxane Alpha


(MOUSE)
BDBM50018531
PNG
((Z)-7-[(S)-6-((E)-(S)-3-Hydroxy-oct-1-enyl)-2-oxa-...)
Show SMILES CCCCC[C@H](O)\C=C\C1[C@H]2C[C@H](CO2)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C21H34O4/c1-2-3-6-9-17(22)12-13-19-18(16-14-20(19)25-15-16)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16-,17+,18+,19?,20-/m1/s1
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67n/an/an/an/an/an/an/an/a



Kyoto University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Thromboxane Alpha


(MOUSE)
BDBM85177
PNG
(CAS_80558-61-8 | M&B-28767 | NSC_119139)
Show SMILES OC(COc1ccccc1)C=CC1CCC(=O)C1CCCCCCC(O)=O
Show InChI InChI=1S/C22H30O5/c23-18(16-27-19-8-4-3-5-9-19)14-12-17-13-15-21(24)20(17)10-6-1-2-7-11-22(25)26/h3-5,8-9,12,14,17-18,20,23H,1-2,6-7,10-11,13,15-16H2,(H,25,26)
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1.30E+3n/an/an/an/an/an/an/an/a



Kyoto University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair