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PubMed code 1542094

Compile data set for download or QSAR
Found 20 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
Platelet activating factor receptor


(Cavia porcellus)
BDBM50005224
PNG
(2-({Acetyl-[5-(16-methoxy-hexadecyloxy)-tetrahydro...)
Show SMILES CC[n+]1ccccc1CN(C(C)=O)C(=O)OCC1COC(C1)OCCCCCCCCCCCCCCCCOC
Show InChI InChI=1S/C33H57N2O6/c1-4-34-22-18-17-21-31(34)26-35(29(2)36)33(37)41-28-30-25-32(40-27-30)39-24-20-16-14-12-10-8-6-5-7-9-11-13-15-19-23-38-3/h17-18,21-22,30,32H,4-16,19-20,23-28H2,1-3H3/q+1
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n/an/a 2.10n/an/an/an/an/an/a



J. Uriach & Cía.S.A.

Curated by ChEMBL


Assay Description
In vitro inhibition of PAF induced aggregation of rabbit platelets.


Citation and Details
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50005227
PNG
(2-({Acetyl-[5-(6-decyloxy-hexyloxy)-tetrahydro-fur...)
Show SMILES CCCCCCCCCCOCCCCCCOC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1
Show InChI InChI=1S/C32H55N2O6/c1-4-6-7-8-9-10-11-16-21-37-22-17-12-13-18-23-38-31-24-29(26-39-31)27-40-32(36)34(28(3)35)25-30-19-14-15-20-33(30)5-2/h14-15,19-20,29,31H,4-13,16-18,21-27H2,1-3H3/q+1
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n/an/a 4.10n/an/an/an/an/an/a



J. Uriach & Cía.S.A.

Curated by ChEMBL


Assay Description
In vitro inhibition of PAF induced aggregation of rabbit platelets.


Citation and Details
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50005225
PNG
(2-{[Acetyl-(5-hexadecyloxymethyl-tetrahydro-furan-...)
Show SMILES CCCCCCCCCCCCCCCCOCC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1
Show InChI InChI=1S/C33H57N2O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-23-38-28-32-24-30(26-39-32)27-40-33(37)35(29(3)36)25-31-21-18-19-22-34(31)5-2/h18-19,21-22,30,32H,4-17,20,23-28H2,1-3H3/q+1
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n/an/a 8.60n/an/an/an/an/an/a



J. Uriach & Cía.S.A.

Curated by ChEMBL


Assay Description
In vitro inhibition of PAF induced aggregation of rabbit platelets.


Citation and Details
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50005231
PNG
(2-{[Acetyl-(5-hexadecyloxy-tetrahydro-furan-3-ylme...)
Show SMILES CCCCCCCCCCCCCCCCOC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1
Show InChI InChI=1S/C32H55N2O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-23-37-31-24-29(26-38-31)27-39-32(36)34(28(3)35)25-30-21-18-19-22-33(30)5-2/h18-19,21-22,29,31H,4-17,20,23-27H2,1-3H3/q+1
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n/an/a 9.70n/an/an/an/an/an/a



J. Uriach & Cía.S.A.

Curated by ChEMBL


Assay Description
In vitro inhibition of PAF induced aggregation of rabbit platelets.


Citation and Details
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50005237
PNG
(2-{[Acetyl-(5-octadecyloxymethyl-tetrahydro-furan-...)
Show SMILES CCCCCCCCCCCCCCCCCCOCC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1
Show InChI InChI=1S/C35H61N2O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-40-30-34-26-32(28-41-34)29-42-35(39)37(31(3)38)27-33-23-20-21-24-36(33)5-2/h20-21,23-24,32,34H,4-19,22,25-30H2,1-3H3/q+1
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n/an/a 11n/an/an/an/an/an/a



J. Uriach & Cía.S.A.

Curated by ChEMBL


Assay Description
In vitro inhibition of PAF induced aggregation of rabbit platelets.


Citation and Details
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50005232
PNG
((R)-2-{[Acetyl-(2-methoxy-3-octadecylcarbamoyloxy-...)
Show SMILES CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(Cc1cccc[n+]1CC)C(C)=O)OC
Show InChI InChI=1S/C34H59N3O6/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-35-33(39)42-28-32(41-4)29-43-34(40)37(30(3)38)27-31-24-21-23-26-36(31)6-2/h21,23-24,26,32H,5-20,22,25,27-29H2,1-4H3/p+1
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n/an/a 12n/an/an/an/an/an/a



J. Uriach & Cía.S.A.

Curated by ChEMBL


Assay Description
In vitro inhibition of PAF induced aggregation of rabbit platelets.


Citation and Details
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50005229
PNG
(2-{[Acetyl-(5-octadecyloxy-tetrahydro-furan-3-ylme...)
Show SMILES CCCCCCCCCCCCCCCCCCOC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1
Show InChI InChI=1S/C34H59N2O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-39-33-26-31(28-40-33)29-41-34(38)36(30(3)37)27-32-23-20-21-24-35(32)5-2/h20-21,23-24,31,33H,4-19,22,25-29H2,1-3H3/q+1
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n/an/a 13n/an/an/an/an/an/a



J. Uriach & Cía.S.A.

Curated by ChEMBL


Assay Description
In vitro inhibition of PAF induced aggregation of rabbit platelets.


Citation and Details
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50005226
PNG
(2-[(Acetyl-{5-[6-(5-phenyl-pentyloxy)-hexyloxy]-te...)
Show SMILES CC[n+]1ccccc1CN(C(C)=O)C(=O)OCC1COC(C1)OCCCCCCOCCCCCc1ccccc1
Show InChI InChI=1S/C33H49N2O6/c1-3-34-20-12-11-19-31(34)25-35(28(2)36)33(37)41-27-30-24-32(40-26-30)39-23-15-5-4-13-21-38-22-14-7-10-18-29-16-8-6-9-17-29/h6,8-9,11-12,16-17,19-20,30,32H,3-5,7,10,13-15,18,21-27H2,1-2H3/q+1
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n/an/a 15n/an/an/an/an/an/a



J. Uriach & Cía.S.A.

Curated by ChEMBL


Assay Description
In vitro inhibition of PAF induced aggregation of rabbit platelets.


Citation and Details
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50005230
PNG
(2-[(Acetyl-{5-[6-(biphenyl-4-ylmethoxy)-hexyloxy]-...)
Show SMILES CC[n+]1ccccc1CN(C(C)=O)C(=O)OCC1COC(C1)OCCCCCCOCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C35H45N2O6/c1-3-36-20-10-9-15-33(36)24-37(28(2)38)35(39)43-27-30-23-34(42-26-30)41-22-12-5-4-11-21-40-25-29-16-18-32(19-17-29)31-13-7-6-8-14-31/h6-10,13-20,30,34H,3-5,11-12,21-27H2,1-2H3/q+1
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n/an/a 15n/an/an/an/an/an/a



J. Uriach & Cía.S.A.

Curated by ChEMBL


Assay Description
In vitro inhibition of PAF induced aggregation of rabbit platelets.


Citation and Details
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50005235
PNG
(2-{[Acetyl-(5-octadecyloxy-tetrahydro-furan-3-ylme...)
Show SMILES CCCCCCCCCCCCCCCCCCOC1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1
Show InChI InChI=1S/C34H59N2O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-39-33-26-31(28-40-33)29-41-34(38)36(30(3)37)27-32-23-20-21-24-35(32)5-2/h20-21,23-24,31,33H,4-19,22,25-29H2,1-3H3/q+1/t31-,33?/m0/s1
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n/an/a 16n/an/an/an/an/an/a



J. Uriach & Cía.S.A.

Curated by ChEMBL


Assay Description
In vitro inhibition of PAF induced aggregation of rabbit platelets.


Citation and Details
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50005229
PNG
(2-{[Acetyl-(5-octadecyloxy-tetrahydro-furan-3-ylme...)
Show SMILES CCCCCCCCCCCCCCCCCCOC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1
Show InChI InChI=1S/C34H59N2O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-39-33-26-31(28-40-33)29-41-34(38)36(30(3)37)27-32-23-20-21-24-35(32)5-2/h20-21,23-24,31,33H,4-19,22,25-29H2,1-3H3/q+1
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n/an/a 21n/an/an/an/an/an/a



J. Uriach & Cía.S.A.

Curated by ChEMBL


Assay Description
In vitro inhibition of PAF induced aggregation of rabbit platelets.


Citation and Details
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50005222
PNG
(2-({Acetyl-[5-(6-oct-7-enyloxy-hexyloxy)-tetrahydr...)
Show SMILES CC[n+]1ccccc1CN(C(C)=O)C(=O)OCC1COC(C1)OCCCCCCOCCCCCCC=C
Show InChI InChI=1S/C30H49N2O6/c1-4-6-7-8-9-14-19-35-20-15-10-11-16-21-36-29-22-27(24-37-29)25-38-30(34)32(26(3)33)23-28-17-12-13-18-31(28)5-2/h4,12-13,17-18,27,29H,1,5-11,14-16,19-25H2,2-3H3/q+1
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n/an/a 25n/an/an/an/an/an/a



J. Uriach & Cía.S.A.

Curated by ChEMBL


Assay Description
In vitro inhibition of PAF induced aggregation of rabbit platelets.


Citation and Details
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50005238
PNG
(2-{[Acetyl-(5-octadecyloxy-tetrahydro-furan-3-ylme...)
Show SMILES CCCCCCCCCCCCCCCCCCO[C@@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1
Show InChI InChI=1S/C34H59N2O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-39-33-26-31(28-40-33)29-41-34(38)36(30(3)37)27-32-23-20-21-24-35(32)5-2/h20-21,23-24,31,33H,4-19,22,25-29H2,1-3H3/q+1/t31-,33-/m0/s1
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n/an/a 31n/an/an/an/an/an/a



J. Uriach & Cía.S.A.

Curated by ChEMBL


Assay Description
In vitro inhibition of PAF induced aggregation of rabbit platelets.


Citation and Details
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50005221
PNG
(2-{[Acetyl-(5-icosyloxy-tetrahydro-furan-3-ylmetho...)
Show SMILES CCCCCCCCCCCCCCCCCCCCOC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1
Show InChI InChI=1S/C36H63N2O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-27-41-35-28-33(30-42-35)31-43-36(40)38(32(3)39)29-34-25-22-23-26-37(34)5-2/h22-23,25-26,33,35H,4-21,24,27-31H2,1-3H3/q+1
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n/an/a 40n/an/an/an/an/an/a



J. Uriach & Cía.S.A.

Curated by ChEMBL


Assay Description
In vitro inhibition of PAF induced aggregation of rabbit platelets.


Citation and Details
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50005228
PNG
(2-[(Acetyl-{5-[6-(3-phenyl-propoxy)-hexyloxy]-tetr...)
Show SMILES CC[n+]1ccccc1CN(C(C)=O)C(=O)OCC1COC(C1)OCCCCCCOCCCc1ccccc1
Show InChI InChI=1S/C31H45N2O6/c1-3-32-18-10-9-17-29(32)23-33(26(2)34)31(35)39-25-28-22-30(38-24-28)37-21-12-5-4-11-19-36-20-13-16-27-14-7-6-8-15-27/h6-10,14-15,17-18,28,30H,3-5,11-13,16,19-25H2,1-2H3/q+1
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n/an/a 51n/an/an/an/an/an/a



J. Uriach & Cía.S.A.

Curated by ChEMBL


Assay Description
In vitro inhibition of PAF induced aggregation of rabbit platelets.


Citation and Details
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50005234
PNG
(2-({Acetyl-[5-(3-phenyl-propoxy)-tetrahydro-furan-...)
Show SMILES CC[n+]1ccccc1CN(C(C)=O)C(=O)OCC1COC(C1)OCCCc1ccccc1
Show InChI InChI=1S/C25H33N2O5/c1-3-26-14-8-7-13-23(26)17-27(20(2)28)25(29)32-19-22-16-24(31-18-22)30-15-9-12-21-10-5-4-6-11-21/h4-8,10-11,13-14,22,24H,3,9,12,15-19H2,1-2H3/q+1
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n/an/a 190n/an/an/an/an/an/a



J. Uriach & Cía.S.A.

Curated by ChEMBL


Assay Description
In vitro inhibition of PAF induced aggregation of rabbit platelets.


Citation and Details
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50005223
PNG
(2-{[Acetyl-(5-heptadecyl-tetrahydro-furan-3-ylmeth...)
Show SMILES CCCCCCCCCCCCCCCCCC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1
Show InChI InChI=1S/C33H57N2O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-32-25-30(27-38-32)28-39-33(37)35(29(3)36)26-31-22-20-21-24-34(31)5-2/h20-22,24,30,32H,4-19,23,25-28H2,1-3H3/q+1
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n/an/a 210n/an/an/an/an/an/a



J. Uriach & Cía.S.A.

Curated by ChEMBL


Assay Description
In vitro inhibition of PAF induced aggregation of rabbit platelets.


Citation and Details
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50005233
PNG
(2-({Acetyl-[5-(3,3-diphenyl-propoxy)-tetrahydro-fu...)
Show SMILES CC[n+]1ccccc1CN(C(C)=O)C(=O)OCC1COC(C1)OCCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H37N2O5/c1-3-32-18-11-10-16-28(32)21-33(24(2)34)31(35)38-23-25-20-30(37-22-25)36-19-17-29(26-12-6-4-7-13-26)27-14-8-5-9-15-27/h4-16,18,25,29-30H,3,17,19-23H2,1-2H3/q+1
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n/an/a 260n/an/an/an/an/an/a



J. Uriach & Cía.S.A.

Curated by ChEMBL


Assay Description
In vitro inhibition of PAF induced aggregation of rabbit platelets.


Citation and Details
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50005240
PNG
(2-({Acetyl-[5-(3-methyl-butoxy)-tetrahydro-furan-3...)
Show SMILES CC[n+]1ccccc1CN(C(C)=O)C(=O)OCC1COC(C1)OCCC(C)C
Show InChI InChI=1S/C21H33N2O5/c1-5-22-10-7-6-8-19(22)13-23(17(4)24)21(25)28-15-18-12-20(27-14-18)26-11-9-16(2)3/h6-8,10,16,18,20H,5,9,11-15H2,1-4H3/q+1
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n/an/a 690n/an/an/an/an/an/a



J. Uriach & Cía.S.A.

Curated by ChEMBL


Assay Description
In vitro inhibition of PAF induced aggregation of rabbit platelets.


Citation and Details
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50005239
PNG
(2-{[Acetyl-(5-ethoxy-tetrahydro-furan-3-ylmethoxyc...)
Show SMILES CCOC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1
Show InChI InChI=1S/C18H27N2O5/c1-4-19-9-7-6-8-16(19)11-20(14(3)21)18(22)25-13-15-10-17(23-5-2)24-12-15/h6-9,15,17H,4-5,10-13H2,1-3H3/q+1
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n/an/a 2.80E+3n/an/an/an/an/an/a



J. Uriach & Cía.S.A.

Curated by ChEMBL


Assay Description
In vitro inhibition of PAF induced aggregation of rabbit platelets.


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%