Found 14 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 A2 receptor
(Homo sapiens (Human)) | BDBM82512
(CAS_128719-90-4 | I-BOP)Show SMILES O[C@@H](COc1ccc(I)cc1)\C=C\[C@H]1[C@H]2CC[C@H](O2)[C@@H]1C\C=C/CCCC(O)=O |r,TLB:20:19:18:16.15,THB:12:13:18:16.15| 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 | PDB
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| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 271: 1034-41 (1994)
BindingDB Entry DOI: 10.7270/Q2057DFS |
More data for this
Ligand-Target Pair | |
Thromboxane A2 receptor
(Homo sapiens (Human)) | BDBM82512
(CAS_128719-90-4 | I-BOP)Show SMILES O[C@@H](COc1ccc(I)cc1)\C=C\[C@H]1[C@H]2CC[C@H](O2)[C@@H]1C\C=C/CCCC(O)=O |r,TLB:20:19:18:16.15,THB:12:13:18:16.15| 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 | PDB
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| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 271: 1034-41 (1994)
BindingDB Entry DOI: 10.7270/Q2057DFS |
More data for this
Ligand-Target Pair | |
Thromboxane A2 receptor
(Homo sapiens (Human)) | BDBM50008781
(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 | PDB
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 271: 1034-41 (1994)
BindingDB Entry DOI: 10.7270/Q2057DFS |
More data for this
Ligand-Target Pair | |
Thromboxane A2 receptor
(Homo sapiens (Human)) | BDBM50008781
(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 | PDB
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| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 271: 1034-41 (1994)
BindingDB Entry DOI: 10.7270/Q2057DFS |
More data for this
Ligand-Target Pair | |
Thromboxane A2 receptor
(Homo sapiens (Human)) | BDBM50008781
(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 | PDB
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| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 271: 1034-41 (1994)
BindingDB Entry DOI: 10.7270/Q2057DFS |
More data for this
Ligand-Target Pair | |
Thromboxane A2 receptor
(Homo sapiens (Human)) | BDBM81997
(CAS_114865 | NSC_114865 | U44069)Show SMILES CCCCCC(O)C=CC1C2COC(C2)C1CC=CCCCC(O)=O |w:7.6,17.18,TLB:16:15:14:12.11,THB:8:9:14:12.11| Show InChI InChI=1S/C21H34O4/c1-2-3-6-9-17(22)12-13-18-16-14-20(25-15-16)19(18)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) | PDB
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| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 271: 1034-41 (1994)
BindingDB Entry DOI: 10.7270/Q2057DFS |
More data for this
Ligand-Target Pair | |
Thromboxane A2 receptor
(Homo sapiens (Human)) | BDBM81997
(CAS_114865 | NSC_114865 | U44069)Show SMILES CCCCCC(O)C=CC1C2COC(C2)C1CC=CCCCC(O)=O |w:7.6,17.18,TLB:16:15:14:12.11,THB:8:9:14:12.11| Show InChI InChI=1S/C21H34O4/c1-2-3-6-9-17(22)12-13-18-16-14-20(25-15-16)19(18)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) | PDB
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| 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 271: 1034-41 (1994)
BindingDB Entry DOI: 10.7270/Q2057DFS |
More data for this
Ligand-Target Pair | |
Thromboxane A2 receptor
(Homo sapiens (Human)) | BDBM50018531
((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 | PDB
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| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 271: 1034-41 (1994)
BindingDB Entry DOI: 10.7270/Q2057DFS |
More data for this
Ligand-Target Pair | |
Thromboxane A2 receptor
(Homo sapiens (Human)) | BDBM81997
(CAS_114865 | NSC_114865 | U44069)Show SMILES CCCCCC(O)C=CC1C2COC(C2)C1CC=CCCCC(O)=O |w:7.6,17.18,TLB:16:15:14:12.11,THB:8:9:14:12.11| Show InChI InChI=1S/C21H34O4/c1-2-3-6-9-17(22)12-13-18-16-14-20(25-15-16)19(18)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) | PDB
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| 64 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 271: 1034-41 (1994)
BindingDB Entry DOI: 10.7270/Q2057DFS |
More data for this
Ligand-Target Pair | |
Thromboxane A2 receptor
(Homo sapiens (Human)) | BDBM50018531
((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 | PDB
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| 77 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 271: 1034-41 (1994)
BindingDB Entry DOI: 10.7270/Q2057DFS |
More data for this
Ligand-Target Pair | |
Thromboxane A2 receptor
(Homo sapiens (Human)) | BDBM50018531
((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 | PDB
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| 82 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 271: 1034-41 (1994)
BindingDB Entry DOI: 10.7270/Q2057DFS |
More data for this
Ligand-Target Pair | |
Thromboxane A2 receptor
(Homo sapiens (Human)) | BDBM82513
(CAS_122979 | I-PTA-OH | NSC_122979)Show SMILES CC1(C)C2CC1C(CC=CCCCC(O)=O)C(C2)NCC(O)Cc1ccc(O)c(I)c1 |w:8.8,THB:7:6:1:4,18:16:1:4| Show InChI InChI=1S/C25H36INO4/c1-25(2)17-13-20(25)19(7-5-3-4-6-8-24(30)31)22(14-17)27-15-18(28)11-16-9-10-23(29)21(26)12-16/h3,5,9-10,12,17-20,22,27-29H,4,6-8,11,13-15H2,1-2H3,(H,30,31) | PDB
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| 117 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 271: 1034-41 (1994)
BindingDB Entry DOI: 10.7270/Q2057DFS |
More data for this
Ligand-Target Pair | |
Thromboxane A2 receptor
(Homo sapiens (Human)) | BDBM82513
(CAS_122979 | I-PTA-OH | NSC_122979)Show SMILES CC1(C)C2CC1C(CC=CCCCC(O)=O)C(C2)NCC(O)Cc1ccc(O)c(I)c1 |w:8.8,THB:7:6:1:4,18:16:1:4| Show InChI InChI=1S/C25H36INO4/c1-25(2)17-13-20(25)19(7-5-3-4-6-8-24(30)31)22(14-17)27-15-18(28)11-16-9-10-23(29)21(26)12-16/h3,5,9-10,12,17-20,22,27-29H,4,6-8,11,13-15H2,1-2H3,(H,30,31) | PDB
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| 121 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 271: 1034-41 (1994)
BindingDB Entry DOI: 10.7270/Q2057DFS |
More data for this
Ligand-Target Pair | |
Thromboxane A2 receptor
(Homo sapiens (Human)) | BDBM82513
(CAS_122979 | I-PTA-OH | NSC_122979)Show SMILES CC1(C)C2CC1C(CC=CCCCC(O)=O)C(C2)NCC(O)Cc1ccc(O)c(I)c1 |w:8.8,THB:7:6:1:4,18:16:1:4| Show InChI InChI=1S/C25H36INO4/c1-25(2)17-13-20(25)19(7-5-3-4-6-8-24(30)31)22(14-17)27-15-18(28)11-16-9-10-23(29)21(26)12-16/h3,5,9-10,12,17-20,22,27-29H,4,6-8,11,13-15H2,1-2H3,(H,30,31) | PDB
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| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 271: 1034-41 (1994)
BindingDB Entry DOI: 10.7270/Q2057DFS |
More data for this
Ligand-Target Pair | |
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