Found 13 hits Enz. Inhib. hit(s) with all data for entry = 4776 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)) | 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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| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Squibb Institute for Medical Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 245: 786-92 (1988)
BindingDB Entry DOI: 10.7270/Q2D21W4Z |
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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| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Squibb Institute for Medical Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 245: 786-92 (1988)
BindingDB Entry DOI: 10.7270/Q2D21W4Z |
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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| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Squibb Institute for Medical Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 245: 786-92 (1988)
BindingDB Entry DOI: 10.7270/Q2D21W4Z |
More data for this
Ligand-Target Pair | |
Thromboxane A2 receptor
(Homo sapiens (Human)) | BDBM50002805
((daltroban){4-[2-(4-Chloro-benzenesulfonylamino)-e...)Show InChI InChI=1S/C16H16ClNO4S/c17-14-5-7-15(8-6-14)23(21,22)18-10-9-12-1-3-13(4-2-12)11-16(19)20/h1-8,18H,9-11H2,(H,19,20) | PDB
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| 5.43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Squibb Institute for Medical Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 245: 786-92 (1988)
BindingDB Entry DOI: 10.7270/Q2D21W4Z |
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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| 7.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Squibb Institute for Medical Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 245: 786-92 (1988)
BindingDB Entry DOI: 10.7270/Q2D21W4Z |
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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| 7.34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Squibb Institute for Medical Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 245: 786-92 (1988)
BindingDB Entry DOI: 10.7270/Q2D21W4Z |
More data for this
Ligand-Target Pair | |
Thromboxane A2 receptor
(Homo sapiens (Human)) | BDBM50002805
((daltroban){4-[2-(4-Chloro-benzenesulfonylamino)-e...)Show InChI InChI=1S/C16H16ClNO4S/c17-14-5-7-15(8-6-14)23(21,22)18-10-9-12-1-3-13(4-2-12)11-16(19)20/h1-8,18H,9-11H2,(H,19,20) | PDB
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| 11.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Squibb Institute for Medical Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 245: 786-92 (1988)
BindingDB Entry DOI: 10.7270/Q2D21W4Z |
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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| 18.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Squibb Institute for Medical Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 245: 786-92 (1988)
BindingDB Entry DOI: 10.7270/Q2D21W4Z |
More data for this
Ligand-Target Pair | |
Thromboxane A2 receptor
(Homo sapiens (Human)) | BDBM81998
(CAS_119571 | NSC_119571 | SQ 30741)Show SMILES CCCCCCC(=O)NCC(=O)NCC1C2CCC(O2)C1CC=CCCCC(O)=O |w:22.23,TLB:13:14:16.17:19,THB:21:20:16.17:19| Show InChI InChI=1S/C23H38N2O5/c1-2-3-4-8-11-21(26)25-16-22(27)24-15-18-17(19-13-14-20(18)30-19)10-7-5-6-9-12-23(28)29/h5,7,17-20H,2-4,6,8-16H2,1H3,(H,24,27)(H,25,26)(H,28,29) | PDB
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| 28.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Squibb Institute for Medical Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 245: 786-92 (1988)
BindingDB Entry DOI: 10.7270/Q2D21W4Z |
More data for this
Ligand-Target Pair | |
Thromboxane A2 receptor
(Homo sapiens (Human)) | BDBM81999
(CAS_3036123 | NSC_3036123 | SQ 28668)Show SMILES CC(C(O)C=CC1C2CCC(O2)C1CC=CCCCC(O)=O)c1ccccc1 |w:4.3,14.15,TLB:5:6:8.9:11,THB:13:12:8.9:11| Show InChI InChI=1S/C24H32O4/c1-17(18-9-5-4-6-10-18)21(25)14-13-20-19(22-15-16-23(20)28-22)11-7-2-3-8-12-24(26)27/h2,4-7,9-10,13-14,17,19-23,25H,3,8,11-12,15-16H2,1H3,(H,26,27) | PDB
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| 31.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Squibb Institute for Medical Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 245: 786-92 (1988)
BindingDB Entry DOI: 10.7270/Q2D21W4Z |
More data for this
Ligand-Target Pair | |
Thromboxane A2 receptor
(Homo sapiens (Human)) | BDBM81998
(CAS_119571 | NSC_119571 | SQ 30741)Show SMILES CCCCCCC(=O)NCC(=O)NCC1C2CCC(O2)C1CC=CCCCC(O)=O |w:22.23,TLB:13:14:16.17:19,THB:21:20:16.17:19| Show InChI InChI=1S/C23H38N2O5/c1-2-3-4-8-11-21(26)25-16-22(27)24-15-18-17(19-13-14-20(18)30-19)10-7-5-6-9-12-23(28)29/h5,7,17-20H,2-4,6,8-16H2,1H3,(H,24,27)(H,25,26)(H,28,29) | PDB
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| 49.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Squibb Institute for Medical Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 245: 786-92 (1988)
BindingDB Entry DOI: 10.7270/Q2D21W4Z |
More data for this
Ligand-Target Pair | |
Thromboxane A2 receptor
(Homo sapiens (Human)) | BDBM81999
(CAS_3036123 | NSC_3036123 | SQ 28668)Show SMILES CC(C(O)C=CC1C2CCC(O2)C1CC=CCCCC(O)=O)c1ccccc1 |w:4.3,14.15,TLB:5:6:8.9:11,THB:13:12:8.9:11| Show InChI InChI=1S/C24H32O4/c1-17(18-9-5-4-6-10-18)21(25)14-13-20-19(22-15-16-23(20)28-22)11-7-2-3-8-12-24(26)27/h2,4-7,9-10,13-14,17,19-23,25H,3,8,11-12,15-16H2,1H3,(H,26,27) | PDB
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| 72.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Squibb Institute for Medical Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 245: 786-92 (1988)
BindingDB Entry DOI: 10.7270/Q2D21W4Z |
More data for this
Ligand-Target Pair | |
Thromboxane A2 receptor
(Homo sapiens (Human)) | BDBM50002765
(BM 13177 | BM-13177 | CHEMBL8273 | Sulotroban | [4...)Show InChI InChI=1S/C16H17NO5S/c18-16(19)12-22-14-8-6-13(7-9-14)10-11-17-23(20,21)15-4-2-1-3-5-15/h1-9,17H,10-12H2,(H,18,19) | PDB
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| 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Squibb Institute for Medical Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 245: 786-92 (1988)
BindingDB Entry DOI: 10.7270/Q2D21W4Z |
More data for this
Ligand-Target Pair | |
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