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Articleid 50029601

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
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
PTAFR


(RAT)
BDBM50286012
PNG
(3-{(R)-7-[1-Dimethylcarbamoyl-6-(4-fluoro-phenyl)-...)
Show SMILES CN(C)C(=O)n1cc(C(=O)c2ccn3[C@H](SCc23)c2ccc[n+]([O-])c2)c2ccc(cc12)-c1ccc(F)cc1
Show InChI InChI=1S/C29H23FN4O3S/c1-31(2)29(36)34-16-24(22-10-7-19(14-25(22)34)18-5-8-21(30)9-6-18)27(35)23-11-13-33-26(23)17-38-28(33)20-4-3-12-32(37)15-20/h3-16,28H,17H2,1-2H3/t28-/m1/s1
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Article
2.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of platelet activating factor(PAF) by binding to PAF receptor


Bioorg Med Chem Lett 5: 2909-2912 (1995)


Article DOI: 10.1016/0960-894X(95)00510-Z
BindingDB Entry DOI: 10.7270/Q2S46RXM
More data for this
Ligand-Target Pair
PTAFR


(RAT)
BDBM50035397
PNG
(6-(4-Fluoro-phenyl)-3-((R)-3-pyridin-3-yl-1H-pyrro...)
Show SMILES CN(C)C(=O)n1cc(C(=O)c2ccn3[C@H](SCc23)c2cccnc2)c2ccc(cc12)-c1ccc(F)cc1
Show InChI InChI=1S/C29H23FN4O2S/c1-32(2)29(36)34-16-24(22-10-7-19(14-25(22)34)18-5-8-21(30)9-6-18)27(35)23-11-13-33-26(23)17-37-28(33)20-4-3-12-31-15-20/h3-16,28H,17H2,1-2H3/t28-/m1/s1
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Article
3.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of platelet activating factor (PAF) by binding to PAF receptor


Bioorg Med Chem Lett 5: 2909-2912 (1995)


Article DOI: 10.1016/0960-894X(95)00510-Z
BindingDB Entry DOI: 10.7270/Q2S46RXM
More data for this
Ligand-Target Pair
PTAFR


(RAT)
BDBM50286013
PNG
((cis)-(2S,3R)-7-[1-Dimethylcarbamoyl-6-(4-fluoro-p...)
Show SMILES CN(C)C(=O)n1cc(C(=O)c2ccn3[C@@H](c4cccnc4)S(=O)Cc23)c2ccc(cc12)-c1ccc(F)cc1
Show InChI InChI=1S/C29H23FN4O3S/c1-32(2)29(36)34-16-24(22-10-7-19(14-25(22)34)18-5-8-21(30)9-6-18)27(35)23-11-13-33-26(23)17-38(37)28(33)20-4-3-12-31-15-20/h3-16,28H,17H2,1-2H3/t28-,38?/m1/s1
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Article
8.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of platelet activating factor(PAF) by binding to PAF receptor


Bioorg Med Chem Lett 5: 2909-2912 (1995)


Article DOI: 10.1016/0960-894X(95)00510-Z
BindingDB Entry DOI: 10.7270/Q2S46RXM
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(RAT)
BDBM50286013
PNG
((cis)-(2S,3R)-7-[1-Dimethylcarbamoyl-6-(4-fluoro-p...)
Show SMILES CN(C)C(=O)n1cc(C(=O)c2ccn3[C@@H](c4cccnc4)S(=O)Cc23)c2ccc(cc12)-c1ccc(F)cc1
Show InChI InChI=1S/C29H23FN4O3S/c1-32(2)29(36)34-16-24(22-10-7-19(14-25(22)34)18-5-8-21(30)9-6-18)27(35)23-11-13-33-26(23)17-38(37)28(33)20-4-3-12-31-15-20/h3-16,28H,17H2,1-2H3/t28-,38?/m1/s1
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Article
68n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of platelet activating factor(PAF) by binding to PAF receptor


Bioorg Med Chem Lett 5: 2909-2912 (1995)


Article DOI: 10.1016/0960-894X(95)00510-Z
BindingDB Entry DOI: 10.7270/Q2S46RXM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%