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Compile Data Set for Download or QSAR

Found 9 hits with Last Name = 'yu' and Initial = 'bz'   
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


(Cavia porcellus)
BDBM50021572
PNG
((2S,3S)-2-(3,4-Dimethoxy-phenyl)-3-methyl-5-propyl...)
Show SMILES CCCc1cc2[C@H](C)[C@H](Oc2cc1O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C20H24O4/c1-5-6-13-9-15-12(2)20(24-18(15)11-16(13)21)14-7-8-17(22-3)19(10-14)23-4/h7-12,20-21H,5-6H2,1-4H3/t12-,20-/m0/s1
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n/an/a 0n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitor concentration required to block 50% of the specific [3H]PAF binding to rabbit platelet membranes.


J Med Chem 30: 136-42 (1987)


BindingDB Entry DOI: 10.7270/Q25T3M2X
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50405462
PNG
(CHEMBL2115332)
Show SMILES CCCC1=C[C@]2(OC)[C@H](C)[C@H](OC2=CC1=O)c1ccc(OC)c(OC)c1 |c:13,t:3|
Show InChI InChI=1S/C21H26O5/c1-6-7-15-12-21(25-5)13(2)20(26-19(21)11-16(15)22)14-8-9-17(23-3)18(10-14)24-4/h8-13,20H,6-7H2,1-5H3/t13-,20+,21+/m1/s1
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n/an/a 70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitor concentration required to block 50 of the specific [3H]PAF binding to rabbit platelet membranes.


J Med Chem 30: 136-42 (1987)


BindingDB Entry DOI: 10.7270/Q25T3M2X
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50001747
PNG
((+)-Kadsurenone | (Kadsurenone)5-Allyl-2-(3,4-dime...)
Show SMILES COc1ccc(cc1OC)[C@H]1OC2=CC(=O)C(CC=C)=C[C@]2(OC)[C@@H]1C |c:20,t:13|
Show InChI InChI=1S/C21H24O5/c1-6-7-15-12-21(25-5)13(2)20(26-19(21)11-16(15)22)14-8-9-17(23-3)18(10-14)24-4/h6,8-13,20H,1,7H2,2-5H3/t13-,20+,21+/m1/s1
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n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitor concentration required to block 50% of the specific [3H]PAF binding, obtained as natural product.


J Med Chem 30: 136-42 (1987)


BindingDB Entry DOI: 10.7270/Q25T3M2X
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50001747
PNG
((+)-Kadsurenone | (Kadsurenone)5-Allyl-2-(3,4-dime...)
Show SMILES COc1ccc(cc1OC)[C@H]1OC2=CC(=O)C(CC=C)=C[C@]2(OC)[C@@H]1C |c:20,t:13|
Show InChI InChI=1S/C21H24O5/c1-6-7-15-12-21(25-5)13(2)20(26-19(21)11-16(15)22)14-8-9-17(23-3)18(10-14)24-4/h6,8-13,20H,1,7H2,2-5H3/t13-,20+,21+/m1/s1
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n/an/a 120n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitor concentration required to block 50% of the specific [3H]PAF binding to rabbit platelet membranes.


J Med Chem 30: 136-42 (1987)


BindingDB Entry DOI: 10.7270/Q25T3M2X
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50001747
PNG
((+)-Kadsurenone | (Kadsurenone)5-Allyl-2-(3,4-dime...)
Show SMILES COc1ccc(cc1OC)[C@H]1OC2=CC(=O)C(CC=C)=C[C@]2(OC)[C@@H]1C |c:20,t:13|
Show InChI InChI=1S/C21H24O5/c1-6-7-15-12-21(25-5)13(2)20(26-19(21)11-16(15)22)14-8-9-17(23-3)18(10-14)24-4/h6,8-13,20H,1,7H2,2-5H3/t13-,20+,21+/m1/s1
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n/an/a 200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition concentration required to block 50% of the specific [3H]PAF binding, obtained from Chiralpak column at low temperatures.


J Med Chem 30: 136-42 (1987)


BindingDB Entry DOI: 10.7270/Q25T3M2X
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50001747
PNG
((+)-Kadsurenone | (Kadsurenone)5-Allyl-2-(3,4-dime...)
Show SMILES COc1ccc(cc1OC)[C@H]1OC2=CC(=O)C(CC=C)=C[C@]2(OC)[C@@H]1C |c:20,t:13|
Show InChI InChI=1S/C21H24O5/c1-6-7-15-12-21(25-5)13(2)20(26-19(21)11-16(15)22)14-8-9-17(23-3)18(10-14)24-4/h6,8-13,20H,1,7H2,2-5H3/t13-,20+,21+/m1/s1
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n/an/a 240n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitor concentration required to block 50 %of the specific [3H]PAF binding to rabbit platelet membranes.


J Med Chem 30: 136-42 (1987)


BindingDB Entry DOI: 10.7270/Q25T3M2X
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50021571
PNG
((2S,3R)-5-Allyl-2-(3,4-dimethoxy-phenyl)-3a-ethoxy...)
Show SMILES CCOC12C=C(CC=C)C(=O)C=C1O[C@@H]([C@H]2C)c1ccc(OC)c(OC)c1 |c:11,t:4|
Show InChI InChI=1S/C22H26O5/c1-6-8-16-13-22(26-7-2)14(3)21(27-20(22)12-17(16)23)15-9-10-18(24-4)19(11-15)25-5/h6,9-14,21H,1,7-8H2,2-5H3/t14-,21+,22?/m1/s1
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n/an/a 500n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitor concentration required to block 50 of the specific [3H]PAF binding to rabbit platelet membranes.


J Med Chem 30: 136-42 (1987)


BindingDB Entry DOI: 10.7270/Q25T3M2X
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM21680
PNG
((4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R,16S)-5,9,1...)
Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(O)=O
Show InChI InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1
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Article
PubMed
n/an/an/a>1.50E+5n/an/an/an/an/a



University of Delaware

Curated by ChEMBL


Assay Description
Binding affinity to human pancreatic recombinant 1B PLA2 expressed in Escherichia coli by resonance energy transfer assay in presence of trimethyl-am...


J Nat Prod 72: 24-8 (2009)


Article DOI: 10.1021/np8004453
BindingDB Entry DOI: 10.7270/Q2X34XG0
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM50236230
PNG
(2-((R)-4-((3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dih...)
Show SMILES C[C@H](CCC(=O)NCCS(O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20+,21+,22+,24+,25+,26-/m1/s1
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n/an/an/a 1.00E+4n/an/an/an/an/a



University of Delaware

Curated by ChEMBL


Assay Description
Binding affinity to human pancreatic recombinant 1B PLA2 expressed in Escherichia coli by resonance energy transfer assay in presence of trimethyl-am...


J Nat Prod 72: 24-8 (2009)


Article DOI: 10.1021/np8004453
BindingDB Entry DOI: 10.7270/Q2X34XG0
More data for this
Ligand-Target Pair