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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for entry = 50034932   
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
Platelet-activating factor receptor


(Homo sapiens (Human))
BDBM50421411
PNG
(CHEMBL2304168)
Show SMILES C[C@@H]1C(=O)O[C@H]2[C@H](OCc3ccc(Cl)cc3)C34[C@H]5C[C@@H](C(C)(C)C)[C@@]33[C@@H](O)C(=O)O[C@H]3O[C@@]4(C(=O)O5)[C@@]12O
Show InChI InChI=1S/C27H29ClO10/c1-11-19(30)36-18-17(34-10-12-5-7-13(28)8-6-12)25-15-9-14(23(2,3)4)24(25)16(29)20(31)37-22(24)38-27(25,21(32)35-15)26(11,18)33/h5-8,11,14-18,22,29,33H,9-10H2,1-4H3/t11-,14+,15-,16+,17+,18+,22+,24+,25?,26-,27-/m1/s1
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n/an/a 29n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Compound was evaluated for anti-platelet activating factor potency


Bioorg Med Chem Lett 8: 1291-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VH5PB6
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Homo sapiens (Human))
BDBM50421412
PNG
(CHEMBL2304167)
Show SMILES CC1C(=O)O[C@H]2[C@H](O)C34[C@H]5C[C@@H](C(C)(C)C)[C@]33[C@@H](OC(=O)[C@@H]3OCOCc3ccccc3)O[C@@]4(C(=O)O5)[C@@]12O
Show InChI InChI=1S/C28H32O11/c1-13-20(30)37-18-17(29)26-16-10-15(24(2,3)4)25(26)19(35-12-34-11-14-8-6-5-7-9-14)21(31)38-23(25)39-28(26,22(32)36-16)27(13,18)33/h5-9,13,15-19,23,29,33H,10-12H2,1-4H3/t13?,15-,16+,17-,18-,19-,23-,25-,26?,27+,28+/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Compound was evaluated for anti-platelet activating factor potency


Bioorg Med Chem Lett 8: 1291-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VH5PB6
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Homo sapiens (Human))
BDBM50421410
PNG
(CHEMBL2304166)
Show SMILES C[C@@H]1C(=O)O[C@H]2[C@H](OCOCc3ccccc3)C34[C@H]5C[C@@H](C(C)(C)C)[C@@]33[C@@H](O)C(=O)O[C@H]3O[C@@]4(C(=O)O5)[C@@]12O
Show InChI InChI=1S/C28H32O11/c1-13-20(30)37-19-18(35-12-34-11-14-8-6-5-7-9-14)26-16-10-15(24(2,3)4)25(26)17(29)21(31)38-23(25)39-28(26,22(32)36-16)27(13,19)33/h5-9,13,15-19,23,29,33H,10-12H2,1-4H3/t13-,15+,16-,17+,18+,19+,23+,25+,26?,27-,28-/m1/s1
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n/an/a 59n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Compound was evaluated for anti-platelet activating factor potency


Bioorg Med Chem Lett 8: 1291-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VH5PB6
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Homo sapiens (Human))
BDBM50251276
PNG
(BN 52021 | CHEMBL514432 | GINKOLIDE B | Gingkolide...)
Show SMILES C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@@]34[C@H]5C[C@@H](C(C)(C)C)[C@@]33[C@@H](O)C(=O)O[C@H]3O[C@@]4(C(=O)O5)[C@@]12O |r|
Show InChI InChI=1S/C20H24O10/c1-6-12(23)28-11-9(21)18-8-5-7(16(2,3)4)17(18)10(22)13(24)29-15(17)30-20(18,14(25)27-8)19(6,11)26/h6-11,15,21-22,26H,5H2,1-4H3/t6-,7+,8-,9+,10+,11+,15+,17+,18+,19-,20-/m1/s1
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MCE
KEGG
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PC sid
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PubMed
n/an/a 128n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Compound was evaluated for anti-platelet activating factor potency


Bioorg Med Chem Lett 8: 1291-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VH5PB6
More data for this
Ligand-Target Pair