Found 7 hits Enz. Inhib. hit(s) with all data for assayid = 10 entry = 50044436 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 |
|---|
Prostaglandin E2 receptor EP2 subtype
(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
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| DrugBank
PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 2.10 | n/a | n/a | n/a | n/a |
Emory University School of Medicine
Curated by ChEMBL
| Assay Description
Agonist activity at EP2 receptor (unknown origin) by functional assay |
J Med Chem 57: 4454-65 (2014)
Article DOI: 10.1021/jm401431x
BindingDB Entry DOI: 10.7270/Q2CR5VXZ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Prostaglandin E2 receptor EP2 subtype
(Homo sapiens (Human)) | BDBM85602
((R)-BUTAPROST | Butaprost (Free Acid) | CAS_69648-...)Show SMILES CCCC1(CCC1)[C@H](O)C\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC |r| Show InChI InChI=1S/C24H40O5/c1-3-14-24(15-9-16-24)22(27)12-8-11-19-18(20(25)17-21(19)26)10-6-4-5-7-13-23(28)29-2/h8,11,18-19,21-22,26-27H,3-7,9-10,12-17H2,1-2H3/b11-8+/t18-,19-,21-,22-/m1/s1 | PDB
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antibodypedia
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 33 | n/a | n/a | n/a | n/a |
Emory University School of Medicine
Curated by ChEMBL
| Assay Description
Agonist activity at EP2 receptor (unknown origin) by functional assay |
J Med Chem 57: 4454-65 (2014)
Article DOI: 10.1021/jm401431x
BindingDB Entry DOI: 10.7270/Q2CR5VXZ |
More data for this
Ligand-Target Pair | |
Prostaglandin E2 receptor EP2 subtype
(Homo sapiens (Human)) | BDBM50016954
(CHEMBL1628262)Show SMILES CCCC1(CCC1)[C@@H](O)C\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O Show InChI InChI=1S/C23H38O5/c1-2-13-23(14-8-15-23)21(26)11-7-10-18-17(19(24)16-20(18)25)9-5-3-4-6-12-22(27)28/h7,10,17-18,20-21,25-26H,2-6,8-9,11-16H2,1H3,(H,27,28)/b10-7+/t17-,18-,20-,21+/m1/s1 | PDB
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CHEMBL
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PC cid
PC sid
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| Article
PubMed
| n/a | n/a | n/a | n/a | 32 | n/a | n/a | n/a | n/a |
Emory University School of Medicine
Curated by ChEMBL
| Assay Description
Agonist activity at EP2 receptor (unknown origin) by functional assay |
J Med Chem 57: 4454-65 (2014)
Article DOI: 10.1021/jm401431x
BindingDB Entry DOI: 10.7270/Q2CR5VXZ |
More data for this
Ligand-Target Pair | |
Prostaglandin E2 receptor EP2 subtype
(Homo sapiens (Human)) | BDBM50016953
(Taprenepag)Show SMILES OC(=O)COc1cccc(CN(Cc2ccc(cc2)-n2cccn2)S(=O)(=O)c2cccnc2)c1 Show InChI InChI=1S/C24H22N4O5S/c29-24(30)18-33-22-5-1-4-20(14-22)17-27(34(31,32)23-6-2-11-25-15-23)16-19-7-9-21(10-8-19)28-13-3-12-26-28/h1-15H,16-18H2,(H,29,30) | PDB
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| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 2.80 | n/a | n/a | n/a | n/a |
Emory University School of Medicine
Curated by ChEMBL
| Assay Description
Agonist activity at EP2 receptor (unknown origin) by functional assay |
J Med Chem 57: 4454-65 (2014)
Article DOI: 10.1021/jm401431x
BindingDB Entry DOI: 10.7270/Q2CR5VXZ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Prostaglandin E2 receptor EP2 subtype
(Homo sapiens (Human)) | BDBM50016952
(CHEMBL3286796)Show SMILES O[C@@H](C\C=C\[C@H]1[C@H](O)C[C@@H](Cl)[C@@H]1C\C=C/CCCC(O)=O)C1(CC=C)CCC1 |r| Show InChI InChI=1S/C23H35ClO4/c1-2-13-23(14-8-15-23)21(26)11-7-10-18-17(19(24)16-20(18)25)9-5-3-4-6-12-22(27)28/h2-3,5,7,10,17-21,25-26H,1,4,6,8-9,11-16H2,(H,27,28)/b5-3-,10-7+/t17-,18-,19-,20-,21+/m1/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | n/a | n/a | 1.80 | n/a | n/a | n/a | n/a |
Emory University School of Medicine
Curated by ChEMBL
| Assay Description
Agonist activity at EP2 receptor (unknown origin) by functional assay |
J Med Chem 57: 4454-65 (2014)
Article DOI: 10.1021/jm401431x
BindingDB Entry DOI: 10.7270/Q2CR5VXZ |
More data for this
Ligand-Target Pair | |
Prostaglandin E2 receptor EP2 subtype
(Homo sapiens (Human)) | BDBM50293496
(2-(3-((N-(4-tert-butylbenzyl)pyridine-3-sulfonamid...)Show SMILES CC(C)(C)c1ccc(CN(Cc2cccc(OCC(O)=O)c2)S(=O)(=O)c2cccnc2)cc1 Show InChI InChI=1S/C25H28N2O5S/c1-25(2,3)21-11-9-19(10-12-21)16-27(33(30,31)23-8-5-13-26-15-23)17-20-6-4-7-22(14-20)32-18-24(28)29/h4-15H,16-18H2,1-3H3,(H,28,29) | PDB
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| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 5 | n/a | n/a | n/a | n/a |
Emory University School of Medicine
Curated by ChEMBL
| Assay Description
Agonist activity at EP2 receptor (unknown origin) by functional assay |
J Med Chem 57: 4454-65 (2014)
Article DOI: 10.1021/jm401431x
BindingDB Entry DOI: 10.7270/Q2CR5VXZ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Prostaglandin E2 receptor EP2 subtype
(Homo sapiens (Human)) | BDBM50101830
((Z)-7-{(1R,2R,3R,5R)-5-Chloro-2-[(E)-(S)-4-(1-ethy...)Show SMILES CCC1(CCC1)[C@@H](O)C\C=C\[C@H]1[C@H](O)C[C@@H](Cl)[C@@H]1C\C=C/CCCC(O)=O Show InChI InChI=1S/C22H35ClO4/c1-2-22(13-8-14-22)20(25)11-7-10-17-16(18(23)15-19(17)24)9-5-3-4-6-12-21(26)27/h3,5,7,10,16-20,24-25H,2,4,6,8-9,11-15H2,1H3,(H,26,27)/b5-3-,10-7+/t16-,17-,18-,19-,20+/m1/s1 | PDB
Reactome pathway
KEGG
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.80 | n/a | n/a | n/a | n/a |
Emory University School of Medicine
Curated by ChEMBL
| Assay Description
Agonist activity at EP2 receptor (unknown origin) by functional assay |
J Med Chem 57: 4454-65 (2014)
Article DOI: 10.1021/jm401431x
BindingDB Entry DOI: 10.7270/Q2CR5VXZ |
More data for this
Ligand-Target Pair | |
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