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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50010158   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM50085910
PNG
((Z)-7-{(1R,2R,3R,5S)-2-[(E)-(R)-4-(3-Chloro-phenox...)
Show SMILES O[C@@H](COc1cccc(Cl)c1)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C22H29ClO6/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28)/b3-1-,11-10+/t16-,18-,19-,20+,21-/m1/s1
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31n/an/an/an/an/an/an/an/a



Alcon Laboratories, Inc.

Curated by ChEMBL


Assay Description
Inhibitory Binding constant (n=2) to Prostanoid FP receptor expressed in bovine corpus luteum


J Med Chem 43: 3400-7 (2000)


BindingDB Entry DOI: 10.7270/Q20864JG
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM50035622
PNG
((5Z,13E,15S)-9alpha,11alpha,15-trihydroxyprosta-5,...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(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/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
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PubMed
119n/an/an/an/an/an/an/an/a



Alcon Laboratories, Inc.

Curated by ChEMBL


Assay Description
Inhibitory Binding constant (n=2) to Prostanoid FP receptor expressed in bovine corpus luteum


J Med Chem 43: 3400-7 (2000)


BindingDB Entry DOI: 10.7270/Q20864JG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM50091623
PNG
(7-{2-[4-(3-Chloro-phenoxy)-3-hydroxy-but-1-enyl]-3...)
Show SMILES O[C@@H](COc1cccc(Cl)c1)\C=C\[C@H]1[C@H](O)CC[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C23H31ClO6/c24-16-6-5-7-18(14-16)30-15-17(25)10-11-20-19(21(26)12-13-22(20)27)8-3-1-2-4-9-23(28)29/h1,3,5-7,10-11,14,17,19-22,25-27H,2,4,8-9,12-13,15H2,(H,28,29)/b3-1-,11-10+/t17-,19-,20-,21+,22-/m1/s1
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1.90E+3n/an/an/an/an/an/an/an/a



Alcon Laboratories, Inc.

Curated by ChEMBL


Assay Description
Inhibitory Binding constant (n=2) to Prostanoid FP receptor expressed in bovine corpus luteum


J Med Chem 43: 3400-7 (2000)


BindingDB Entry DOI: 10.7270/Q20864JG
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM50091622
PNG
(7-{2-[4-(3-Chloro-phenoxy)-3-hydroxy-but-1-enyl]-3...)
Show SMILES O[C@H](COc1cccc(Cl)c1)\C=C\[C@H]1[C@H](O)CC[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C23H31ClO6/c24-16-6-5-7-18(14-16)30-15-17(25)10-11-20-19(21(26)12-13-22(20)27)8-3-1-2-4-9-23(28)29/h1,3,5-7,10-11,14,17,19-22,25-27H,2,4,8-9,12-13,15H2,(H,28,29)/b3-1-,11-10+/t17-,19+,20+,21-,22+/m0/s1
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5.60E+4n/an/an/an/an/an/an/an/a



Alcon Laboratories, Inc.

Curated by ChEMBL


Assay Description
Inhibitory Binding constant (n=2) to Prostanoid FP receptor expressed in bovine corpus luteum


J Med Chem 43: 3400-7 (2000)


BindingDB Entry DOI: 10.7270/Q20864JG
More data for this
Ligand-Target Pair