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Compile Data Set for Download or QSAR

Found 340 hits with Last Name = 'woo' and Initial = 'sh'   
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)
BDBM50284388
PNG
(2-{[Acetyl-(1-hexadecylcarbamoyloxymethyl-cyclopen...)
Show SMILES CCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CCCC1
Show InChI InChI=1S/C35H59N3O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-21-26-36-33(40)42-29-35(24-19-20-25-35)30-43-34(41)38(31(3)39)28-32-23-18-22-27-37(32)5-2/h18,22-23,27H,4-17,19-21,24-26,28-30H2,1-3H3/p+1
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1.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]-PAF from its Platelet Activating Factor (PAF) receptor in rabbit platelet membrane in vitro.


Bioorg Med Chem Lett 5: 1091-1096 (1995)


Article DOI: 10.1016/0960-894X(95)00173-Q
BindingDB Entry DOI: 10.7270/Q2SQ90BW
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50284401
PNG
(2-{[Acetyl-(1-octadecylcarbamoyloxymethyl-cyclopen...)
Show SMILES CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CCCC1
Show InChI InChI=1S/C37H63N3O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28-38-35(42)44-31-37(26-21-22-27-37)32-45-36(43)40(33(3)41)30-34-25-20-24-29-39(34)5-2/h20,24-25,29H,4-19,21-23,26-28,30-32H2,1-3H3/p+1
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4.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]-PAF from its Platelet Activating Factor (PAF) receptor in rabbit platelet membrane in vitro.


Bioorg Med Chem Lett 5: 1091-1096 (1995)


Article DOI: 10.1016/0960-894X(95)00173-Q
BindingDB Entry DOI: 10.7270/Q2SQ90BW
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50284419
PNG
(2-{[Acetyl-((2R,4R)-4-octadecylcarbamoyloxymethyl-...)
Show SMILES CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)S1
Show InChI InChI=1S/C35H59N3O5S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-36-34(40)42-28-32-26-33(44-32)29-43-35(41)38(30(3)39)27-31-23-20-22-25-37(31)5-2/h20,22-23,25,32-33H,4-19,21,24,26-29H2,1-3H3/p+1/t32-,33-/m1/s1
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4.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-PAF from PAF receptor in rabbit platelet membranes


Bioorg Med Chem Lett 5: 1097-1102 (1995)


Article DOI: 10.1016/0960-894X(95)00174-R
BindingDB Entry DOI: 10.7270/Q2NZ87KQ
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50284416
PNG
(2-{[Acetyl-(3-octadecylcarbamoyloxymethyl-cyclobut...)
Show SMILES CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)C1 |wU:23.22,wD:25.25,(-6.84,-45.17,;-6.14,-43.8,;-4.61,-43.71,;-3.91,-42.33,;-2.38,-42.25,;-1.69,-40.87,;-.16,-40.79,;.54,-39.42,;2.07,-39.33,;2.77,-37.95,;4.29,-37.87,;4.99,-36.49,;6.53,-36.41,;7.21,-35.04,;8.76,-34.95,;9.44,-33.57,;10.98,-33.49,;11.68,-32.11,;13.22,-32.03,;13.91,-30.66,;13.05,-29.38,;15.45,-30.57,;16.28,-31.86,;17.82,-31.78,;18.83,-30.62,;20,-31.66,;21.53,-31.57,;22.23,-30.2,;23.76,-30.11,;24.6,-31.4,;24.45,-28.75,;25.98,-28.66,;26.82,-29.94,;26.12,-31.31,;26.96,-32.59,;28.5,-32.52,;29.2,-31.15,;28.36,-29.85,;29.05,-28.48,;30.59,-28.4,;23.61,-27.45,;22.07,-27.54,;24.31,-26.08,;18.97,-32.8,)|
Show InChI InChI=1S/C36H61N3O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-37-35(41)43-29-32-26-33(27-32)30-44-36(42)39(31(3)40)28-34-23-20-22-25-38(34)5-2/h20,22-23,25,32-33H,4-19,21,24,26-30H2,1-3H3/p+1/t32-,33-
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4.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-PAF from PAF receptor in rabbit platelet membranes


Bioorg Med Chem Lett 5: 1097-1102 (1995)


Article DOI: 10.1016/0960-894X(95)00174-R
BindingDB Entry DOI: 10.7270/Q2NZ87KQ
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50284417
PNG
(2-{[Acetyl-((2R,4R)-4-octadecylcarbamoyloxymethyl-...)
Show SMILES CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1
Show InChI InChI=1S/C35H59N3O6/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-36-34(40)42-28-32-26-33(44-32)29-43-35(41)38(30(3)39)27-31-23-20-22-25-37(31)5-2/h20,22-23,25,32-33H,4-19,21,24,26-29H2,1-3H3/p+1/t32-,33-/m1/s1
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5.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-PAF from PAF receptor in rabbit platelet membranes


Bioorg Med Chem Lett 5: 1097-1102 (1995)


Article DOI: 10.1016/0960-894X(95)00174-R
BindingDB Entry DOI: 10.7270/Q2NZ87KQ
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50284395
PNG
(2-{[Acetyl-(1-octadecylcarbamoyloxymethyl-cyclobut...)
Show SMILES CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CCC1
Show InChI InChI=1S/C36H61N3O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-27-37-34(41)43-30-36(25-23-26-36)31-44-35(42)39(32(3)40)29-33-24-20-22-28-38(33)5-2/h20,22,24,28H,4-19,21,23,25-27,29-31H2,1-3H3/p+1
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6.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]-PAF from its Platelet Activating Factor (PAF) receptor in rabbit platelet membrane in vitro.


Bioorg Med Chem Lett 5: 1091-1096 (1995)


Article DOI: 10.1016/0960-894X(95)00173-Q
BindingDB Entry DOI: 10.7270/Q2SQ90BW
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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7.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]-PAF from its Platelet Activating Factor (PAF) receptor in rabbit platelet membrane in vitro.


Bioorg Med Chem Lett 5: 1091-1096 (1995)


Article DOI: 10.1016/0960-894X(95)00173-Q
BindingDB Entry DOI: 10.7270/Q2SQ90BW
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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7.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-PAF from PAF receptor in rabbit platelet membranes


Bioorg Med Chem Lett 5: 1097-1102 (1995)


Article DOI: 10.1016/0960-894X(95)00174-R
BindingDB Entry DOI: 10.7270/Q2NZ87KQ
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50284414
PNG
(2-{[Acetyl-((2S,4R)-4-octadecylcarbamoyloxymethyl-...)
Show SMILES CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1
Show InChI InChI=1S/C35H59N3O6/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-36-34(40)42-28-32-26-33(44-32)29-43-35(41)38(30(3)39)27-31-23-20-22-25-37(31)5-2/h20,22-23,25,32-33H,4-19,21,24,26-29H2,1-3H3/p+1/t32-,33+/m1/s1
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9.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-PAF from PAF receptor in rabbit platelet membranes


Bioorg Med Chem Lett 5: 1097-1102 (1995)


Article DOI: 10.1016/0960-894X(95)00174-R
BindingDB Entry DOI: 10.7270/Q2NZ87KQ
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50284399
PNG
(1-[4-(1-Octadecylcarbamoyloxymethyl-cyclopentylmet...)
Show SMILES CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCC[n+]2cccc3ccccc23)CCCC1
Show InChI InChI=1S/C40H64N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-31-41-39(44)46-35-40(29-20-21-30-40)34-45-38(43)28-19-23-32-42-33-24-26-36-25-17-18-27-37(36)42/h17-18,24-27,33H,2-16,19-23,28-32,34-35H2,1H3/p+1
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9.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]-PAF from its Platelet Activating Factor (PAF) receptor in rabbit platelet membrane in vitro.


Bioorg Med Chem Lett 5: 1091-1096 (1995)


Article DOI: 10.1016/0960-894X(95)00173-Q
BindingDB Entry DOI: 10.7270/Q2SQ90BW
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50284420
PNG
(2-{[Acetyl-((2S,4R)-4-octadecylcarbamoyloxymethyl-...)
Show SMILES CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)S1
Show InChI InChI=1S/C35H59N3O5S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-36-34(40)42-28-32-26-33(44-32)29-43-35(41)38(30(3)39)27-31-23-20-22-25-37(31)5-2/h20,22-23,25,32-33H,4-19,21,24,26-29H2,1-3H3/p+1/t32-,33+/m1/s1
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9.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-PAF from PAF receptor in rabbit platelet membranes


Bioorg Med Chem Lett 5: 1097-1102 (1995)


Article DOI: 10.1016/0960-894X(95)00174-R
BindingDB Entry DOI: 10.7270/Q2NZ87KQ
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50284412
PNG
(2-{[Acetyl-((2S,4S)-4-hexadecylcarbamoyloxymethyl-...)
Show SMILES CCCCCCCCCCCCCCCCNC(=O)OC[C@@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)S1
Show InChI InChI=1S/C33H55N3O5S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-19-22-34-32(38)40-26-30-24-31(42-30)27-41-33(39)36(28(3)37)25-29-21-18-20-23-35(29)5-2/h18,20-21,23,30-31H,4-17,19,22,24-27H2,1-3H3/p+1/t30-,31-/m0/s1
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9.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-PAF from PAF receptor in rabbit platelet membranes


Bioorg Med Chem Lett 5: 1097-1102 (1995)


Article DOI: 10.1016/0960-894X(95)00174-R
BindingDB Entry DOI: 10.7270/Q2NZ87KQ
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50284409
PNG
(2-{[Acetyl-(2,2-dimethyl-3-octadecylcarbamoyloxy-p...)
Show SMILES CCCCCCCCCCCCCCCCCCNC(=O)OCC(C)(C)COC(=O)N(Cc1cccc[n+]1CC)C(C)=O
Show InChI InChI=1S/C35H61N3O5/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26-36-33(40)42-29-35(4,5)30-43-34(41)38(31(3)39)28-32-25-22-24-27-37(32)7-2/h22,24-25,27H,6-21,23,26,28-30H2,1-5H3/p+1
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13n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]-PAF from its Platelet Activating Factor (PAF) receptor in rabbit platelet membrane in vitro.


Bioorg Med Chem Lett 5: 1091-1096 (1995)


Article DOI: 10.1016/0960-894X(95)00173-Q
BindingDB Entry DOI: 10.7270/Q2SQ90BW
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50284414
PNG
(2-{[Acetyl-((2S,4R)-4-octadecylcarbamoyloxymethyl-...)
Show SMILES CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1
Show InChI InChI=1S/C35H59N3O6/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-36-34(40)42-28-32-26-33(44-32)29-43-35(41)38(30(3)39)27-31-23-20-22-25-37(31)5-2/h20,22-23,25,32-33H,4-19,21,24,26-29H2,1-3H3/p+1/t32-,33+/m1/s1
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15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-PAF from PAF receptor in rabbit platelet membranes


Bioorg Med Chem Lett 5: 1097-1102 (1995)


Article DOI: 10.1016/0960-894X(95)00174-R
BindingDB Entry DOI: 10.7270/Q2NZ87KQ
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50284422
PNG
(2-{[Acetyl-((2S,4S)-4-hexadecyloxymethyl-oxetan-2-...)
Show SMILES CCCCCCCCCCCCCCCCOC[C@@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1
Show InChI InChI=1S/C32H55N2O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-23-37-26-30-24-31(39-30)27-38-32(36)34(28(3)35)25-29-21-18-19-22-33(29)5-2/h18-19,21-22,30-31H,4-17,20,23-27H2,1-3H3/q+1/t30-,31-/m0/s1
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15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-PAF from PAF receptor in rabbit platelet membranes


Bioorg Med Chem Lett 5: 1097-1102 (1995)


Article DOI: 10.1016/0960-894X(95)00174-R
BindingDB Entry DOI: 10.7270/Q2NZ87KQ
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50284400
PNG
(2-{[Acetyl-(3-octadecylcarbamoyloxymethyl-oxetan-3...)
Show SMILES CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)COC1
Show InChI InChI=1S/C35H59N3O6/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-36-33(40)43-29-35(27-42-28-35)30-44-34(41)38(31(3)39)26-32-23-20-22-25-37(32)5-2/h20,22-23,25H,4-19,21,24,26-30H2,1-3H3/p+1
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20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]-PAF from its Platelet Activating Factor (PAF) receptor in rabbit platelet membrane in vitro.


Bioorg Med Chem Lett 5: 1091-1096 (1995)


Article DOI: 10.1016/0960-894X(95)00173-Q
BindingDB Entry DOI: 10.7270/Q2SQ90BW
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50284386
PNG
(1-[5-(3-Octadecylcarbamoyloxymethyl-thietan-3-ylme...)
Show SMILES CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCCC[n+]2ccccc2)CSC1
Show InChI InChI=1S/C35H60N2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-36-34(39)41-30-35(31-42-32-35)29-40-33(38)24-19-17-21-26-37-27-22-18-23-28-37/h18,22-23,27-28H,2-17,19-21,24-26,29-32H2,1H3/p+1
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20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]-PAF from its Platelet Activating Factor (PAF) receptor in rabbit platelet membrane in vitro.


Bioorg Med Chem Lett 5: 1091-1096 (1995)


Article DOI: 10.1016/0960-894X(95)00173-Q
BindingDB Entry DOI: 10.7270/Q2SQ90BW
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50284423
PNG
(2-{[Acetyl-((2R,4R)-4-hexadecyloxymethyl-thietan-2...)
Show SMILES CCCCCCCCCCCCCCCCOC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)S1
Show InChI InChI=1S/C32H55N2O4S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-23-37-26-30-24-31(39-30)27-38-32(36)34(28(3)35)25-29-21-18-19-22-33(29)5-2/h18-19,21-22,30-31H,4-17,20,23-27H2,1-3H3/q+1/t30-,31-/m1/s1
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20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-PAF from PAF receptor in rabbit platelet membranes


Bioorg Med Chem Lett 5: 1097-1102 (1995)


Article DOI: 10.1016/0960-894X(95)00174-R
BindingDB Entry DOI: 10.7270/Q2NZ87KQ
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50284413
PNG
(2-{[Acetyl-((2S,4R)-4-hexadecyloxymethyl-oxetan-2-...)
Show SMILES CCCCCCCCCCCCCCCCOC[C@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1
Show InChI InChI=1S/C32H55N2O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-23-37-26-30-24-31(39-30)27-38-32(36)34(28(3)35)25-29-21-18-19-22-33(29)5-2/h18-19,21-22,30-31H,4-17,20,23-27H2,1-3H3/q+1/t30-,31+/m1/s1
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21n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-PAF from PAF receptor in rabbit platelet membranes


Bioorg Med Chem Lett 5: 1097-1102 (1995)


Article DOI: 10.1016/0960-894X(95)00174-R
BindingDB Entry DOI: 10.7270/Q2NZ87KQ
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50284400
PNG
(2-{[Acetyl-(3-octadecylcarbamoyloxymethyl-oxetan-3...)
Show SMILES CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)COC1
Show InChI InChI=1S/C35H59N3O6/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-36-33(40)43-29-35(27-42-28-35)30-44-34(41)38(31(3)39)26-32-23-20-22-25-37(32)5-2/h20,22-23,25H,4-19,21,24,26-30H2,1-3H3/p+1
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23n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]-PAF from its Platelet Activating Factor (PAF) receptor in rabbit platelet membrane in vitro.


Bioorg Med Chem Lett 5: 1091-1096 (1995)


Article DOI: 10.1016/0960-894X(95)00173-Q
BindingDB Entry DOI: 10.7270/Q2SQ90BW
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50284415
PNG
(1-Ethyl-2-{[((2R,4R)-4-hexadecylcarbamoyloxymethyl...)
Show SMILES CCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(=O)c2ccc(OC)cc2)S1
Show InChI InChI=1S/C39H59N3O6S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-19-26-40-38(44)47-30-35-28-36(49-35)31-48-39(45)42(29-33-21-18-20-27-41(33)5-2)37(43)32-22-24-34(46-3)25-23-32/h18,20-25,27,35-36H,4-17,19,26,28-31H2,1-3H3/p+1/t35-,36-/m1/s1
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26n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-PAF from PAF receptor in rabbit platelet membranes


Bioorg Med Chem Lett 5: 1097-1102 (1995)


Article DOI: 10.1016/0960-894X(95)00174-R
BindingDB Entry DOI: 10.7270/Q2NZ87KQ
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50284398
PNG
(3-[5-(3-Octadecylcarbamoyloxymethyl-thietan-3-ylme...)
Show SMILES CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCCC[n+]2ccsc2)CSC1
Show InChI InChI=1S/C33H58N2O4S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-34-32(37)39-27-33(28-41-29-33)26-38-31(36)21-18-17-20-23-35-24-25-40-30-35/h24-25,30H,2-23,26-29H2,1H3/p+1
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28n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]-PAF from its Platelet Activating Factor (PAF) receptor in rabbit platelet membrane in vitro.


Bioorg Med Chem Lett 5: 1091-1096 (1995)


Article DOI: 10.1016/0960-894X(95)00173-Q
BindingDB Entry DOI: 10.7270/Q2SQ90BW
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50284392
PNG
(1-[5-(3-Octadecylcarbamoyloxymethyl-thietan-3-ylme...)
Show SMILES CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCCC[n+]2cccc3ccccc23)CSC1
Show InChI InChI=1S/C39H62N2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-28-40-38(43)45-32-39(33-46-34-39)31-44-37(42)27-18-17-22-29-41-30-23-25-35-24-19-20-26-36(35)41/h19-20,23-26,30H,2-18,21-22,27-29,31-34H2,1H3/p+1
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30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]-PAF from its Platelet Activating Factor (PAF) receptor in rabbit platelet membrane in vitro.


Bioorg Med Chem Lett 5: 1091-1096 (1995)


Article DOI: 10.1016/0960-894X(95)00173-Q
BindingDB Entry DOI: 10.7270/Q2SQ90BW
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50284396
PNG
(3-[5-(3-Octadecylcarbamoyloxymethyl-oxetan-3-ylmet...)
Show SMILES CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCCC[n+]2ccsc2)COC1
Show InChI InChI=1S/C33H58N2O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-34-32(37)40-29-33(26-38-27-33)28-39-31(36)21-18-17-20-23-35-24-25-41-30-35/h24-25,30H,2-23,26-29H2,1H3/p+1
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31n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]-PAF from its Platelet Activating Factor (PAF) receptor in rabbit platelet membrane in vitro.


Bioorg Med Chem Lett 5: 1091-1096 (1995)


Article DOI: 10.1016/0960-894X(95)00173-Q
BindingDB Entry DOI: 10.7270/Q2SQ90BW
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50284410
PNG
(1-Ethyl-2-{[(4-methoxy-benzoyl)-(4-octadecylcarbam...)
Show SMILES CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(=O)c2ccc(OC)cc2)S1
Show InChI InChI=1S/C41H63N3O6S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-28-42-40(46)49-32-37-30-38(51-37)33-50-41(47)44(31-35-23-20-22-29-43(35)5-2)39(45)34-24-26-36(48-3)27-25-34/h20,22-27,29,37-38H,4-19,21,28,30-33H2,1-3H3/p+1/t37-,38-/m1/s1
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34n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-PAF from PAF receptor in rabbit platelet membranes


Bioorg Med Chem Lett 5: 1097-1102 (1995)


Article DOI: 10.1016/0960-894X(95)00174-R
BindingDB Entry DOI: 10.7270/Q2NZ87KQ
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50284411
PNG
(2-{[Acetyl-((2R,4R)-1-acetyl-4-octadecylcarbamoylo...)
Show SMILES CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)N1C(C)=O
Show InChI InChI=1S/C37H62N4O6/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-38-36(44)46-29-34-27-35(41(34)32(4)43)30-47-37(45)40(31(3)42)28-33-24-21-23-26-39(33)6-2/h21,23-24,26,34-35H,5-20,22,25,27-30H2,1-4H3/p+1/t34-,35-/m1/s1
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35n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-PAF from PAF receptor in rabbit platelet membranes


Bioorg Med Chem Lett 5: 1097-1102 (1995)


Article DOI: 10.1016/0960-894X(95)00174-R
BindingDB Entry DOI: 10.7270/Q2NZ87KQ
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50284387
PNG
(3-[5-(3-Hexadecyloxymethyl-oxetan-3-ylmethoxycarbo...)
Show SMILES CCCCCCCCCCCCCCCCOCC1(COC(=O)CCCCC[n+]2ccsc2)COC1
Show InChI InChI=1S/C30H54NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-22-33-24-30(25-34-26-30)27-35-29(32)19-16-15-17-20-31-21-23-36-28-31/h21,23,28H,2-20,22,24-27H2,1H3/q+1
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53n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]-PAF from its Platelet Activating Factor (PAF) receptor in rabbit platelet membrane in vitro.


Bioorg Med Chem Lett 5: 1091-1096 (1995)


Article DOI: 10.1016/0960-894X(95)00173-Q
BindingDB Entry DOI: 10.7270/Q2SQ90BW
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50284403
PNG
(2-{[Acetyl-(1-octadecylcarbamoyloxymethyl-cyclohex...)
Show SMILES CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CCCCC1
Show InChI InChI=1S/C38H65N3O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-29-39-36(43)45-32-38(27-22-20-23-28-38)33-46-37(44)41(34(3)42)31-35-26-21-25-30-40(35)5-2/h21,25-26,30H,4-20,22-24,27-29,31-33H2,1-3H3/p+1
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56n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]-PAF from its Platelet Activating Factor (PAF) receptor in rabbit platelet membrane in vitro.


Bioorg Med Chem Lett 5: 1091-1096 (1995)


Article DOI: 10.1016/0960-894X(95)00173-Q
BindingDB Entry DOI: 10.7270/Q2SQ90BW
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50284394
PNG
(2-{[Acetyl-(3-hexadecylcarbamoyloxymethyl-oxetan-3...)
Show SMILES CCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)COC1
Show InChI InChI=1S/C33H55N3O6/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-19-22-34-31(38)41-27-33(25-40-26-33)28-42-32(39)36(29(3)37)24-30-21-18-20-23-35(30)5-2/h18,20-21,23H,4-17,19,22,24-28H2,1-3H3/p+1
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95n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]-PAF from its Platelet Activating Factor (PAF) receptor in rabbit platelet membrane in vitro.


Bioorg Med Chem Lett 5: 1091-1096 (1995)


Article DOI: 10.1016/0960-894X(95)00173-Q
BindingDB Entry DOI: 10.7270/Q2SQ90BW
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50284421
PNG
(1-Ethyl-2-{[((2S,4S)-4-hexadecyloxymethyl-thietan-...)
Show SMILES CCCCCCCCCCCCCCCCOC[C@@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(=O)c2ccc(OC)cc2)S1
Show InChI InChI=1S/C38H59N2O5S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-27-44-30-35-28-36(46-35)31-45-38(42)40(29-33-21-18-19-26-39(33)5-2)37(41)32-22-24-34(43-3)25-23-32/h18-19,21-26,35-36H,4-17,20,27-31H2,1-3H3/q+1/t35-,36-/m0/s1
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99n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-PAF from PAF receptor in rabbit platelet membranes


Bioorg Med Chem Lett 5: 1097-1102 (1995)


Article DOI: 10.1016/0960-894X(95)00174-R
BindingDB Entry DOI: 10.7270/Q2NZ87KQ
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50284425
PNG
(2-{[Acetyl-(1-benzoyl-4-octadecylcarbamoyloxymethy...)
Show SMILES CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)N1C(=O)c1ccccc1
Show InChI InChI=1S/C42H64N4O6/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-29-43-41(49)51-33-38-31-39(46(38)40(48)36-26-21-20-22-27-36)34-52-42(50)45(35(3)47)32-37-28-23-25-30-44(37)5-2/h20-23,25-28,30,38-39H,4-19,24,29,31-34H2,1-3H3/p+1/t38-,39-/m1/s1
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104n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-PAF from PAF receptor in rabbit platelet membranes


Bioorg Med Chem Lett 5: 1097-1102 (1995)


Article DOI: 10.1016/0960-894X(95)00174-R
BindingDB Entry DOI: 10.7270/Q2NZ87KQ
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50284407
PNG
(2-{[Acetyl-(3-hexadecyloxymethyl-oxetan-3-ylmethox...)
Show SMILES CCCCCCCCCCCCCCCCOCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)COC1
Show InChI InChI=1S/C32H55N2O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-23-37-25-32(26-38-27-32)28-39-31(36)34(29(3)35)24-30-21-18-19-22-33(30)5-2/h18-19,21-22H,4-17,20,23-28H2,1-3H3/q+1
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110n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]-PAF from its Platelet Activating Factor (PAF) receptor in rabbit platelet membrane in vitro.


Bioorg Med Chem Lett 5: 1091-1096 (1995)


Article DOI: 10.1016/0960-894X(95)00173-Q
BindingDB Entry DOI: 10.7270/Q2SQ90BW
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50284402
PNG
(2-{[Acetyl-(1-octadecylcarbamoyloxymethyl-cyclohep...)
Show SMILES CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CCCCCC1
Show InChI InChI=1S/C39H67N3O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25-30-40-37(44)46-33-39(28-23-19-20-24-29-39)34-47-38(45)42(35(3)43)32-36-27-22-26-31-41(36)5-2/h22,26-27,31H,4-21,23-25,28-30,32-34H2,1-3H3/p+1
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110n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]-PAF from its Platelet Activating Factor (PAF) receptor in rabbit platelet membrane in vitro.


Bioorg Med Chem Lett 5: 1091-1096 (1995)


Article DOI: 10.1016/0960-894X(95)00173-Q
BindingDB Entry DOI: 10.7270/Q2SQ90BW
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50284406
PNG
(1-[4-(1-Octadecylcarbamoyloxymethyl-cyclopentylmet...)
Show SMILES CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCC[n+]2ccccc2)CCCC1
Show InChI InChI=1S/C36H62N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-28-37-35(40)42-33-36(26-19-20-27-36)32-41-34(39)25-18-24-31-38-29-22-17-23-30-38/h17,22-23,29-30H,2-16,18-21,24-28,31-33H2,1H3/p+1
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112n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]-PAF from its Platelet Activating Factor (PAF) receptor in rabbit platelet membrane in vitro.


Bioorg Med Chem Lett 5: 1091-1096 (1995)


Article DOI: 10.1016/0960-894X(95)00173-Q
BindingDB Entry DOI: 10.7270/Q2SQ90BW
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50284405
PNG
(3-[4-(1-Octadecylcarbamoyloxymethyl-cyclopentylmet...)
Show SMILES CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCC[n+]2ccsc2)CCCC1
Show InChI InChI=1S/C34H60N2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-35-33(38)40-30-34(23-18-19-24-34)29-39-32(37)22-17-21-26-36-27-28-41-31-36/h27-28,31H,2-26,29-30H2,1H3/p+1
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139n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]-PAF from its Platelet Activating Factor (PAF) receptor in rabbit platelet membrane in vitro.


Bioorg Med Chem Lett 5: 1091-1096 (1995)


Article DOI: 10.1016/0960-894X(95)00173-Q
BindingDB Entry DOI: 10.7270/Q2SQ90BW
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50284404
PNG
(1-[5-(3-Octadecylcarbamoyloxymethyl-oxetan-3-ylmet...)
Show SMILES CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCCC[n+]2ccccc2)COC1
Show InChI InChI=1S/C35H60N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-36-34(39)42-32-35(29-40-30-35)31-41-33(38)24-19-17-21-26-37-27-22-18-23-28-37/h18,22-23,27-28H,2-17,19-21,24-26,29-32H2,1H3/p+1
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188n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]-PAF from its Platelet Activating Factor (PAF) receptor in rabbit platelet membrane in vitro.


Bioorg Med Chem Lett 5: 1091-1096 (1995)


Article DOI: 10.1016/0960-894X(95)00173-Q
BindingDB Entry DOI: 10.7270/Q2SQ90BW
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50284397
PNG
(2-{[Acetyl-(1-acetyl-3-hexadecylcarbamoyloxymethyl...)
Show SMILES CCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CN(C1)C(C)=O
Show InChI InChI=1S/C35H58N4O6/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-20-23-36-33(42)44-28-35(26-38(27-35)30(3)40)29-45-34(43)39(31(4)41)25-32-22-19-21-24-37(32)6-2/h19,21-22,24H,5-18,20,23,25-29H2,1-4H3/p+1
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278n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]-PAF from its Platelet Activating Factor (PAF) receptor in rabbit platelet membrane in vitro.


Bioorg Med Chem Lett 5: 1091-1096 (1995)


Article DOI: 10.1016/0960-894X(95)00173-Q
BindingDB Entry DOI: 10.7270/Q2SQ90BW
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50284390
PNG
(1-[5-(3-Hexadecyloxymethyl-thietan-3-ylmethoxycarb...)
Show SMILES CCCCCCCCCCCCCCCCOCC1(COC(=O)CCCCC[n+]2cccc3ccccc23)CSC1
Show InChI InChI=1S/C36H58NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-28-39-29-36(31-41-32-36)30-40-35(38)25-16-15-19-26-37-27-21-23-33-22-17-18-24-34(33)37/h17-18,21-24,27H,2-16,19-20,25-26,28-32H2,1H3/q+1
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596n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]-PAF from its Platelet Activating Factor (PAF) receptor in rabbit platelet membrane in vitro.


Bioorg Med Chem Lett 5: 1091-1096 (1995)


Article DOI: 10.1016/0960-894X(95)00173-Q
BindingDB Entry DOI: 10.7270/Q2SQ90BW
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50284389
PNG
(CHEMBL12055 | Heterocyclic Lipid derivative)
Show SMILES CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COP([O-])(=O)OCC[n+]2ccccc2)CCCC1
Show InChI InChI=1S/C33H59N2O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-34-32(36)39-30-33(23-18-19-24-33)31-41-42(37,38)40-29-28-35-26-21-17-22-27-35/h17,21-22,26-27H,2-16,18-20,23-25,28-31H2,1H3,(H-,34,36,37,38)
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>1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]-PAF from its Platelet Activating Factor (PAF) receptor in rabbit platelet membrane in vitro.


Bioorg Med Chem Lett 5: 1091-1096 (1995)


Article DOI: 10.1016/0960-894X(95)00173-Q
BindingDB Entry DOI: 10.7270/Q2SQ90BW
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50284391
PNG
(1-[5-(3-Hexadecyloxymethyl-oxetan-3-ylmethoxycarbo...)
Show SMILES CCCCCCCCCCCCCCCCOCC1(COC(=O)CCCCC[n+]2ccccc2)COC1
Show InChI InChI=1S/C32H56NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-26-35-27-32(28-36-29-32)30-37-31(34)22-17-15-18-23-33-24-19-16-20-25-33/h16,19-20,24-25H,2-15,17-18,21-23,26-30H2,1H3/q+1
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>1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]-PAF from its Platelet Activating Factor (PAF) receptor in rabbit platelet membrane in vitro.


Bioorg Med Chem Lett 5: 1091-1096 (1995)


Article DOI: 10.1016/0960-894X(95)00173-Q
BindingDB Entry DOI: 10.7270/Q2SQ90BW
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50284393
PNG
(CHEMBL11731 | Heterocyclic Lipid derivative)
Show SMILES CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COP([O-])(=O)OCC[n+]2ccsc2)CCCC1
Show InChI InChI=1S/C31H57N2O6PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-32-30(34)37-27-31(20-17-18-21-31)28-39-40(35,36)38-25-23-33-24-26-41-29-33/h24,26,29H,2-23,25,27-28H2,1H3,(H-,32,34,35,36)
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>1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]-PAF from its Platelet Activating Factor (PAF) receptor in rabbit platelet membrane in vitro.


Bioorg Med Chem Lett 5: 1091-1096 (1995)


Article DOI: 10.1016/0960-894X(95)00173-Q
BindingDB Entry DOI: 10.7270/Q2SQ90BW
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50114813
PNG
(8-(4'-Bromo-biphenyl-4-yl)-8-oxo-octanoic acid hyd...)
Show SMILES ONC(=O)CCCCCCC(=O)c1ccc(cc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C20H22BrNO3/c21-18-13-11-16(12-14-18)15-7-9-17(10-8-15)19(23)5-3-1-2-4-6-20(24)22-25/h7-14,25H,1-6H2,(H,22,24)
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n/an/a 2n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition against partially purified human histone deacetylase 1 (HDAC-1)


J Med Chem 45: 2877-85 (2002)


BindingDB Entry DOI: 10.7270/Q29W0DT3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50114835
PNG
((E)-8-(biphenyl-4-yl)-N-hydroxy-8-(hydroxyimino)oc...)
Show SMILES ONC(=O)CCCCCCC(N=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H24N2O3/c23-20(22-25)11-7-2-1-6-10-19(21-24)18-14-12-17(13-15-18)16-8-4-3-5-9-16/h3-5,8-9,12-15,19,25H,1-2,6-7,10-11H2,(H,22,23)
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n/an/a 4n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition against partially purified human histone deacetylase 1 (HDAC-1)


J Med Chem 45: 2877-85 (2002)


BindingDB Entry DOI: 10.7270/Q29W0DT3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50114811
PNG
(8-Oxo-8-[4-(4-phenyl-piperazin-1-yl)-phenyl]-octan...)
Show SMILES ONC(=O)CCCCCCC(=O)c1ccc(cc1)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C24H31N3O3/c28-23(10-6-1-2-7-11-24(29)25-30)20-12-14-22(15-13-20)27-18-16-26(17-19-27)21-8-4-3-5-9-21/h3-5,8-9,12-15,30H,1-2,6-7,10-11,16-19H2,(H,25,29)
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n/an/a 4.5n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition against partially purified human histone deacetylase 1 (HDAC-1)


J Med Chem 45: 2877-85 (2002)


BindingDB Entry DOI: 10.7270/Q29W0DT3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
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n/an/a 5n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition against partially purified human histone deacetylase 1 (HDAC-1)


J Med Chem 45: 2877-85 (2002)


BindingDB Entry DOI: 10.7270/Q29W0DT3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50114816
PNG
(8-(biphenyl-4-yl)-N-hydroxy-8-oxooctanamide | 8-Bi...)
Show SMILES ONC(=O)CCCCCCC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H23NO3/c22-19(10-6-1-2-7-11-20(23)21-24)18-14-12-17(13-15-18)16-8-4-3-5-9-16/h3-5,8-9,12-15,24H,1-2,6-7,10-11H2,(H,21,23)
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n/an/a 5n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition against partially purified human histone deacetylase 1 (HDAC-1)


J Med Chem 45: 2877-85 (2002)


BindingDB Entry DOI: 10.7270/Q29W0DT3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
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n/an/a 5n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of partially purified recombinant human Histone deacetylase 1


Bioorg Med Chem Lett 11: 2847-50 (2001)


BindingDB Entry DOI: 10.7270/Q2SF2VF5
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50114814
PNG
(8-Naphthalen-2-yl-8-oxo-octanoic acid hydroxyamide...)
Show SMILES ONC(=O)CCCCCCC(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C18H21NO3/c20-17(9-3-1-2-4-10-18(21)19-22)16-12-11-14-7-5-6-8-15(14)13-16/h5-8,11-13,22H,1-4,9-10H2,(H,19,21)
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n/an/a 5n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition against partially purified human histone deacetylase 1 (HDAC-1)


J Med Chem 45: 2877-85 (2002)


BindingDB Entry DOI: 10.7270/Q29W0DT3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50114829
PNG
((E)-8-Naphthalen-2-yl-oct-7-enoic acid hydroxyamid...)
Show SMILES ONC(=O)CCCCC\C=C\c1ccc2ccccc2c1
Show InChI InChI=1S/C18H21NO2/c20-18(19-21)11-5-3-1-2-4-8-15-12-13-16-9-6-7-10-17(16)14-15/h4,6-10,12-14,21H,1-3,5,11H2,(H,19,20)/b8-4+
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n/an/a 6n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition against partially purified human histone deacetylase 1 (HDAC-1)


J Med Chem 45: 2877-85 (2002)


BindingDB Entry DOI: 10.7270/Q29W0DT3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50114823
PNG
(8-Naphthalen-2-yl-non-8-enoic acid hydroxyamide | ...)
Show SMILES ONC(=O)CCCCCCC(=C)c1ccc2ccccc2c1
Show InChI InChI=1S/C19H23NO2/c1-15(8-4-2-3-5-11-19(21)20-22)17-13-12-16-9-6-7-10-18(16)14-17/h6-7,9-10,12-14,22H,1-5,8,11H2,(H,20,21)
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n/an/a 8n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition against partially purified human histone deacetylase 1 (HDAC-1)


J Med Chem 45: 2877-85 (2002)


BindingDB Entry DOI: 10.7270/Q29W0DT3
More data for this
Ligand-Target Pair
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