Found 14 hits Enz. Inhib. hit(s) with all data for entry = 4806 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 |
|---|
Prostacyclin receptor
(Homo sapiens (Human)) | BDBM50109546
(5-[(3aS,4R,5R,6aS)-5-Hydroxy-4-((S)-3-hydroxy-oct-...)Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2C\C(C[C@H]12)=C\CCCC(O)=O Show InChI InChI=1S/C21H34O4/c1-2-3-4-8-17(22)10-11-18-19-13-15(7-5-6-9-21(24)25)12-16(19)14-20(18)23/h7,10-11,16-20,22-23H,2-6,8-9,12-14H2,1H3,(H,24,25)/b11-10+,15-7-/t16-,17-,18+,19-,20+/m0/s1 | PDB
NCI pathway
Reactome pathway
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PubMed
| 16.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Royal Postgraduate Medical School
Curated by PDSP Ki Database
| |
Br J Pharmacol 72: 435-41 (1981)
Article DOI: 10.1111/j.1476-5381.1981.tb10994.x
BindingDB Entry DOI: 10.7270/Q2HM56XZ |
More data for this
Ligand-Target Pair | |
Prostacyclin receptor
(Homo sapiens (Human)) | BDBM50101828
(7-[(1R,2R,3R)-3-Hydroxy-2-((E)-(R)-3-hydroxy-oct-1...)Show SMILES CCCCC[C@@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O Show InChI InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16-,17-,19-/m1/s1 | PDB
NCI pathway
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KEGG
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| Article
PubMed
| 137 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Royal Postgraduate Medical School
Curated by PDSP Ki Database
| |
Br J Pharmacol 72: 435-41 (1981)
Article DOI: 10.1111/j.1476-5381.1981.tb10994.x
BindingDB Entry DOI: 10.7270/Q2HM56XZ |
More data for this
Ligand-Target Pair | |
Prostacyclin receptor
(Homo sapiens (Human)) | BDBM82091
(CAS_19313-28-1 | PGE0 | PGE1, 13,14-dihydro)Show SMILES CCCCC[C@H](O)CC[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O |r| Show InChI InChI=1S/C20H36O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h15-17,19,21,23H,2-14H2,1H3,(H,24,25)/t15-,16+,17+,19+/m0/s1 | PDB
NCI pathway
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| 315 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Royal Postgraduate Medical School
Curated by PDSP Ki Database
| |
Br J Pharmacol 72: 435-41 (1981)
Article DOI: 10.1111/j.1476-5381.1981.tb10994.x
BindingDB Entry DOI: 10.7270/Q2HM56XZ |
More data for this
Ligand-Target Pair | |
Prostacyclin receptor
(Homo sapiens (Human)) | BDBM82098
(8-ISO PROSTAGLANDIN E1 | CAS_21003-46-3 | PGE1, 8-...)Show SMILES CCCCC[C@H](O)\C=C\C1[C@H](O)CC(=O)[C@H]1CCCCCCC(O)=O |r| Show InChI InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16-,17?,19+/m0/s1 | PDB
NCI pathway
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PubMed
| 735 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Royal Postgraduate Medical School
Curated by PDSP Ki Database
| |
Br J Pharmacol 72: 435-41 (1981)
Article DOI: 10.1111/j.1476-5381.1981.tb10994.x
BindingDB Entry DOI: 10.7270/Q2HM56XZ |
More data for this
Ligand-Target Pair | |
Prostacyclin receptor
(Homo sapiens (Human)) | BDBM50213982
((E)-7-((1R,2R,3R)-3-hydroxy-2-((S,E)-3-hydroxyoct-...)Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C\CCCC(O)=O Show InChI InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4+,13-12+/t15-,16+,17+,19+/m0/s1 | PDB
NCI pathway
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PubMed
| 735 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Royal Postgraduate Medical School
Curated by PDSP Ki Database
| |
Br J Pharmacol 72: 435-41 (1981)
Article DOI: 10.1111/j.1476-5381.1981.tb10994.x
BindingDB Entry DOI: 10.7270/Q2HM56XZ |
More data for this
Ligand-Target Pair | |
Prostacyclin receptor
(Homo sapiens (Human)) | BDBM82094
(17-PHENYL TRINOR PROSTAGLANDIN E2 | CAS_38315-43-4...)Show SMILES O[C@@H](CCc1ccccc1)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O |r| Show InChI InChI=1S/C23H30O5/c24-18(13-12-17-8-4-3-5-9-17)14-15-20-19(21(25)16-22(20)26)10-6-1-2-7-11-23(27)28/h1,3-6,8-9,14-15,18-20,22,24,26H,2,7,10-13,16H2,(H,27,28)/b6-1-,15-14+/t18-,19+,20+,22+/m0/s1 | PDB
NCI pathway
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| Article
PubMed
| 4.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Royal Postgraduate Medical School
Curated by PDSP Ki Database
| |
Br J Pharmacol 72: 435-41 (1981)
Article DOI: 10.1111/j.1476-5381.1981.tb10994.x
BindingDB Entry DOI: 10.7270/Q2HM56XZ |
More data for this
Ligand-Target Pair | |
Prostacyclin receptor
(Homo sapiens (Human)) | BDBM82097
(CAS_162981 | NSC_162981 | PGI1, 6beta)Show SMILES CCCCCC(O)C=CC1C(O)CC2OC(CCCCC(O)=O)CC12 |w:7.6| Show InChI InChI=1S/C20H34O5/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22/h10-11,14-19,21-22H,2-9,12-13H2,1H3,(H,23,24) | PDB
NCI pathway
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| PC cid
PC sid
UniChem
| Article
PubMed
| 7.35E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Royal Postgraduate Medical School
Curated by PDSP Ki Database
| |
Br J Pharmacol 72: 435-41 (1981)
Article DOI: 10.1111/j.1476-5381.1981.tb10994.x
BindingDB Entry DOI: 10.7270/Q2HM56XZ |
More data for this
Ligand-Target Pair | |
Prostacyclin receptor
(Homo sapiens (Human)) | BDBM82093
(13,14-DIHYDRO-15-KETO PROSTAGLANDIN E2 | 13,14-dih...)Show SMILES CCCCCC(=O)CC[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O Show InChI InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,16-17,19,23H,2-3,5-6,8-14H2,1H3,(H,24,25)/b7-4-/t16-,17-,19-/m1/s1 | PDB
NCI pathway
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| 8.41E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Royal Postgraduate Medical School
Curated by PDSP Ki Database
| |
Br J Pharmacol 72: 435-41 (1981)
Article DOI: 10.1111/j.1476-5381.1981.tb10994.x
BindingDB Entry DOI: 10.7270/Q2HM56XZ |
More data for this
Ligand-Target Pair | |
Prostacyclin receptor
(Homo sapiens (Human)) | BDBM50020300
((S-isomer)7-[3,5-Dihydroxy-2-(3-hydroxy-oct-1-enyl...)Show SMILES CCCCC[C@H](O)\C=C\C1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O Show InChI InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17?,18-,19+/m0/s1 | PDB
NCI pathway
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KEGG
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PC cid
PC sid
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| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Royal Postgraduate Medical School
Curated by PDSP Ki Database
| |
Br J Pharmacol 72: 435-41 (1981)
Article DOI: 10.1111/j.1476-5381.1981.tb10994.x
BindingDB Entry DOI: 10.7270/Q2HM56XZ |
More data for this
Ligand-Target Pair | |
Prostacyclin receptor
(Homo sapiens (Human)) | BDBM82096
(2,3-dinor-6-ketoprostaglandin F1alpha | CAS_64700-...)Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCC(O)=O |r| Show InChI InChI=1S/C18H30O6/c1-2-3-4-5-12(19)6-8-14-15(17(22)11-16(14)21)10-13(20)7-9-18(23)24/h6,8,12,14-17,19,21-22H,2-5,7,9-11H2,1H3,(H,23,24)/b8-6+/t12-,14+,15+,16+,17-/m0/s1 | PDB
NCI pathway
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PC cid
PC sid
UniChem
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PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Royal Postgraduate Medical School
Curated by PDSP Ki Database
| |
Br J Pharmacol 72: 435-41 (1981)
Article DOI: 10.1111/j.1476-5381.1981.tb10994.x
BindingDB Entry DOI: 10.7270/Q2HM56XZ |
More data for this
Ligand-Target Pair | |
Prostacyclin receptor
(Homo sapiens (Human)) | BDBM82092
(CAS_5280939 | NSC_5280939 | PGF1alpha)Show SMILES CCCCCC(O)C=CC1C(O)CC(O)C1CCCCCCC(O)=O |w:7.6| Show InChI InChI=1S/C20H36O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-19,21-23H,2-11,14H2,1H3,(H,24,25) | PDB
NCI pathway
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PC cid
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PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Royal Postgraduate Medical School
Curated by PDSP Ki Database
| |
Br J Pharmacol 72: 435-41 (1981)
Article DOI: 10.1111/j.1476-5381.1981.tb10994.x
BindingDB Entry DOI: 10.7270/Q2HM56XZ |
More data for this
Ligand-Target Pair | |
Prostacyclin receptor
(Homo sapiens (Human)) | BDBM82093
(13,14-DIHYDRO-15-KETO PROSTAGLANDIN E2 | 13,14-dih...)Show SMILES CCCCCC(=O)CC[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O Show InChI InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,16-17,19,23H,2-3,5-6,8-14H2,1H3,(H,24,25)/b7-4-/t16-,17-,19-/m1/s1 | PDB
NCI pathway
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KEGG
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KEGG
PC cid
PC sid
UniChem
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| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Royal Postgraduate Medical School
Curated by PDSP Ki Database
| |
Br J Pharmacol 72: 435-41 (1981)
Article DOI: 10.1111/j.1476-5381.1981.tb10994.x
BindingDB Entry DOI: 10.7270/Q2HM56XZ |
More data for this
Ligand-Target Pair | |
Prostacyclin receptor
(Homo sapiens (Human)) | BDBM35847
((15S)-prostaglandin E2 | (5Z,11alpha,13E,15S)-11,1...)Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O Show InChI InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1 | PDB
NCI pathway
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| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Royal Postgraduate Medical School
Curated by PDSP Ki Database
| |
Br J Pharmacol 72: 435-41 (1981)
Article DOI: 10.1111/j.1476-5381.1981.tb10994.x
BindingDB Entry DOI: 10.7270/Q2HM56XZ |
More data for this
Ligand-Target Pair | |
Prostacyclin receptor
(Homo sapiens (Human)) | BDBM50101822
((Z)-7-[(1R,2R,3R)-3-Hydroxy-2-((E)-(R)-3-hydroxy-o...)Show SMILES CCCCC[C@@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O Show InChI InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17-,19-/m1/s1 | PDB
NCI pathway
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| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Royal Postgraduate Medical School
Curated by PDSP Ki Database
| |
Br J Pharmacol 72: 435-41 (1981)
Article DOI: 10.1111/j.1476-5381.1981.tb10994.x
BindingDB Entry DOI: 10.7270/Q2HM56XZ |
More data for this
Ligand-Target Pair | |
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