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Compile Data Set for Download or QSAR

Found 443 hits of ic50 data for polymerid = 49000362,49000900,49000902   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50011635
PNG
(1-{3-[4-(2-Chloro-phenyl)-9-methyl-6H-1-thia-5,7,8...)
Show SMILES Cc1nnc2CN=C(c3cc(sc3-n12)C#CCN1C(=O)CCc2ccccc12)c1ccccc1Cl
Show InChI InChI=1S/C27H20ClN5OS/c1-17-30-31-24-16-29-26(20-9-3-4-10-22(20)28)21-15-19(35-27(21)33(17)24)8-6-14-32-23-11-5-2-7-18(23)12-13-25(32)34/h2-5,7,9-11,15H,12-14,16H2,1H3
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n/an/a 0.200n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
PAF-antagonist activity determined in dog platelets by PAF-binding assay


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


(Homo sapiens (Human))
BDBM85035
PNG
(CAS_65154-06-5 | PAF | bloodplatelet-activatingfac...)
Show SMILES CCCCCCCCCCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(C)=O
Show InChI InChI=1S/C26H54NO7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-31-23-26(34-25(2)28)24-33-35(29,30)32-22-20-27(3,4)5/h26H,6-24H2,1-5H3/t26-/m1/s1
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n/an/a 0.280n/an/an/an/an/an/a



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Displacement of [3H]PAF from platelet activating factor receptor in human platelets after 3 hrs


Bioorg Med Chem Lett 23: 1834-8 (2013)

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


(Homo sapiens (Human))
BDBM50011650
PNG
(1-{3-[4-(2-Chloro-phenyl)-9-methyl-6H-1-thia-5,7,8...)
Show SMILES Cc1nnc2CN=C(c3cc(sc3-n12)C#CCn1c2ccccc2n(C)c1=O)c1ccccc1Cl
Show InChI InChI=1S/C26H19ClN6OS/c1-16-29-30-23-15-28-24(18-9-3-4-10-20(18)27)19-14-17(35-25(19)33(16)23)8-7-13-32-22-12-6-5-11-21(22)31(2)26(32)34/h3-6,9-12,14H,13,15H2,1-2H3
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n/an/a 0.300n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
PAF-antagonist activity determined in dog platelets by PAF-binding assay


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


(Homo sapiens (Human))
BDBM50011611
PNG
(1-{3-[4-(2-Chloro-phenyl)-9-methyl-6H-1-thia-5,7,8...)
Show SMILES Cc1nnc2CN=C(c3cc(sc3-n12)C#CCn1c2ccccc2c(=O)n(C)c1=O)c1ccccc1Cl
Show InChI InChI=1S/C27H19ClN6O2S/c1-16-30-31-23-15-29-24(18-9-3-5-11-21(18)28)20-14-17(37-26(20)34(16)23)8-7-13-33-22-12-6-4-10-19(22)25(35)32(2)27(33)36/h3-6,9-12,14H,13,15H2,1-2H3
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n/an/a 0.600n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
PAF-antagonist activity determined in dog platelets by PAF-binding assay


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


(Homo sapiens (Human))
BDBM50011623
PNG
(2a-{3-[4-(2-Chloro-phenyl)-9-methyl-6H-1-thia-5,7,...)
Show SMILES Cc1nnc2CN=C(c3cc(sc3-n12)C#CCC12CCCc3cccc(NC1=O)c23)c1ccccc1Cl
Show InChI InChI=1S/C29H22ClN5OS/c1-17-33-34-24-16-31-26(20-10-2-3-11-22(20)30)21-15-19(37-27(21)35(17)24)9-6-14-29-13-5-8-18-7-4-12-23(25(18)29)32-28(29)36/h2-4,7,10-12,15H,5,8,13-14,16H2,1H3,(H,32,36)
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n/an/a 0.700n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
PAF-antagonist activity determined in dog platelets by PAF-binding assay


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


(Homo sapiens (Human))
BDBM50011634
PNG
(4-{3-[4-(2-Chloro-phenyl)-9-methyl-6H-1-thia-5,7,8...)
Show SMILES Cc1nnc2CN=C(c3cc(sc3-n12)C#CCN1C(=O)COc2ccccc12)c1ccccc1Cl
Show InChI InChI=1S/C26H18ClN5O2S/c1-16-29-30-23-14-28-25(18-8-2-3-9-20(18)27)19-13-17(35-26(19)32(16)23)7-6-12-31-21-10-4-5-11-22(21)34-15-24(31)33/h2-5,8-11,13H,12,14-15H2,1H3
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n/an/a 0.700n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
PAF-antagonist activity determined in dog platelets by PAF-binding assay


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


(Homo sapiens (Human))
BDBM50280339
PNG
((S)-2-[4-(2-Benzenesulfonyl-ethoxy)-3-methoxy-5-(p...)
Show SMILES CCCS(=O)(=O)c1cc(cc(OC)c1OCCS(=O)(=O)c1ccccc1)C1CC[C@H](O1)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C31H38O10S2/c1-6-15-43(34,35)29-20-22(19-28(38-4)31(29)40-14-16-42(32,33)23-10-8-7-9-11-23)25-13-12-24(41-25)21-17-26(36-2)30(39-5)27(18-21)37-3/h7-11,17-20,24-25H,6,12-16H2,1-5H3/t24-,25?/m0/s1
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n/an/a 1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity of binding of [3H]-C18 PAF to human platelet membrane Platelet activating factor receptor


Bioorg Med Chem Lett 2: 181-184 (1992)

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


(Homo sapiens (Human))
BDBM50013923
PNG
(3-(1-Butyl-4-methoxy-naphthalen-2-yl)-N-(1-methyl-...)
Show SMILES CCCCc1c(\C=C\C(=O)N[C@@H](C)CCCc2cccnc2)cc(OC)c2ccccc12
Show InChI InChI=1S/C28H34N2O2/c1-4-5-13-24-23(19-27(32-3)26-15-7-6-14-25(24)26)16-17-28(31)30-21(2)10-8-11-22-12-9-18-29-20-22/h6-7,9,12,14-21H,4-5,8,10-11,13H2,1-3H3,(H,30,31)/b17-16+/t21-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PAF binding to platelet activating factor receptor citrate-treated dog blood


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


(Homo sapiens (Human))
BDBM50011653
PNG
(2-{3-[4-(2-Chloro-phenyl)-9-methyl-6H-1-thia-5,7,8...)
Show SMILES Cc1nnc2CN=C(c3cc(sc3-n12)C#CCn1ccc2ccccc2c1=O)c1ccccc1Cl
Show InChI InChI=1S/C27H18ClN5OS/c1-17-30-31-24-16-29-25(21-10-4-5-11-23(21)28)22-15-19(35-27(22)33(17)24)8-6-13-32-14-12-18-7-2-3-9-20(18)26(32)34/h2-5,7,9-12,14-15H,13,16H2,1H3
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Roche Research Center

Curated by ChEMBL


Assay Description
PAF-antagonist activity determined in dog platelets by PAF-binding assay


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


(Homo sapiens (Human))
BDBM50011640
PNG
(4-(2-Chloro-phenyl)-2-(3-indazol-1-yl-prop-1-ynyl)...)
Show SMILES Cc1nnc2CN=C(c3cc(sc3-n12)C#CCn1ncc2ccccc12)c1ccccc1Cl
Show InChI InChI=1S/C25H17ClN6S/c1-16-29-30-23-15-27-24(19-9-3-4-10-21(19)26)20-13-18(33-25(20)32(16)23)8-6-12-31-22-11-5-2-7-17(22)14-28-31/h2-5,7,9-11,13-14H,12,15H2,1H3
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Roche Research Center

Curated by ChEMBL


Assay Description
PAF-antagonist activity determined in dog platelets by PAF-binding assay


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


(Homo sapiens (Human))
BDBM50011603
PNG
(1-{3-[4-(2-Chloro-phenyl)-9-methyl-6H-1-thia-5,7,8...)
Show SMILES Cc1nnc2CN=C(c3cc(sc3-n12)C#CCn1c2ccccc2n(-c2ccccc2)c1=O)c1ccccc1Cl
Show InChI InChI=1S/C31H21ClN6OS/c1-20-34-35-28-19-33-29(23-13-5-6-14-25(23)32)24-18-22(40-30(24)37(20)28)12-9-17-36-26-15-7-8-16-27(26)38(31(36)39)21-10-3-2-4-11-21/h2-8,10-11,13-16,18H,17,19H2,1H3
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Roche Research Center

Curated by ChEMBL


Assay Description
PAF-antagonist activity determined in dog platelets by PAF-binding assay


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


(Homo sapiens (Human))
BDBM50408421
PNG
(CHEMBL2113725)
Show SMILES CCCCN(O)C(=O)Nc1cc(cc(OC)c1OCCSc1c(F)c(F)cc(F)c1F)[C@@H]1CC[C@H](O1)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C33H38F4N2O8S/c1-6-7-10-39(41)33(40)38-22-13-18(23-8-9-24(47-23)19-15-26(43-3)31(45-5)27(16-19)44-4)14-25(42-2)30(22)46-11-12-48-32-28(36)20(34)17-21(35)29(32)37/h13-17,23-24,41H,6-12H2,1-5H3,(H,38,40)/t23-,24-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Displacement of [3H]-PAF from PAF receptor of human platelet membranes


J Med Chem 41: 1970-9 (1998)

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


(Homo sapiens (Human))
BDBM50004633
PNG
((S)-4-(2-Chloro-phenyl)-6-methyl-2-[4-(2-methyl-im...)
Show SMILES CCOC(=O)C1=C(N=C(C)C(C1c1ccccc1Cl)C(=O)Nc1ccccn1)c1ccc(cc1)-n1c(C)nc2cnccc12
Show InChI InChI=1S/C34H29ClN6O3/c1-4-44-34(43)31-30(24-9-5-6-10-25(24)35)29(33(42)40-28-11-7-8-17-37-28)20(2)38-32(31)22-12-14-23(15-13-22)41-21(3)39-26-19-36-18-16-27(26)41/h5-19,29-30H,4H2,1-3H3,(H,37,40,42)
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory effect on PAF induced platelets aggregation in rabbit


Bioorg Med Chem Lett 5: 3085-3090 (1995)

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


(Homo sapiens (Human))
BDBM50018350
PNG
(5-(4-Methoxy-phenyl)-5-phenyl-penta-2,4-dienoic ac...)
Show SMILES COc1ccc(cc1)C(=C\C=C\C(=O)N[C@H](C)CCCc1cccnc1)\c1ccccc1
Show InChI InChI=1S/C28H30N2O2/c1-22(9-6-10-23-11-8-20-29-21-23)30-28(31)15-7-14-27(24-12-4-3-5-13-24)25-16-18-26(32-2)19-17-25/h3-5,7-8,11-22H,6,9-10H2,1-2H3,(H,30,31)/b15-7+,27-14+/t22-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of platelet activating factor receptor binding activity in dog platelets using [3H]-PAF as radioligand


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


(Homo sapiens (Human))
BDBM50018388
PNG
(5,5-Bis-(3-methoxy-phenyl)-penta-2,4-dienoic acid ...)
Show SMILES COc1cccc(c1)C(=C\C=C\C(=O)NCCCCc1cccnc1)c1cccc(OC)c1
Show InChI InChI=1S/C28H30N2O3/c1-32-25-13-5-11-23(19-25)27(24-12-6-14-26(20-24)33-2)15-7-16-28(31)30-18-4-3-9-22-10-8-17-29-21-22/h5-8,10-17,19-21H,3-4,9,18H2,1-2H3,(H,30,31)/b16-7+
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Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of platelet activating factor receptor binding activity in dog platelets using [3H]-PAF as radioligand


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


(Homo sapiens (Human))
BDBM50011669
PNG
(1-{3-[4-(2-Chloro-phenyl)-9-methyl-6H-1-thia-5,7,8...)
Show SMILES Cc1nnc2CN=C(c3cc(sc3-n12)C#CCn1c2ccccc2ccc1=O)c1ccccc1Cl
Show InChI InChI=1S/C27H18ClN5OS/c1-17-30-31-24-16-29-26(20-9-3-4-10-22(20)28)21-15-19(35-27(21)33(17)24)8-6-14-32-23-11-5-2-7-18(23)12-13-25(32)34/h2-5,7,9-13,15H,14,16H2,1H3
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Roche Research Center

Curated by ChEMBL


Assay Description
PAF-antagonist activity determined in dog platelets by PAF-binding assay


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


(Homo sapiens (Human))
BDBM50280480
PNG
(CHEMBL156461 | YM-461 | [4-(3-Phenyl-propyl)-piper...)
Show SMILES O=C([C@@H]1CSC(N1)c1cccnc1)N1CCN(CCCc2ccccc2)CC1
Show InChI InChI=1S/C22H28N4OS/c27-22(20-17-28-21(24-20)19-9-4-10-23-16-19)26-14-12-25(13-15-26)11-5-8-18-6-2-1-3-7-18/h1-4,6-7,9-10,16,20-21,24H,5,8,11-15,17H2/t20-,21?/m0/s1
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n/an/a 2.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonistic activity for inhibition of [3H]PAF receptor binding to washed human platelet membranes.


Bioorg Med Chem Lett 2: 597-602 (1992)

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


(Homo sapiens (Human))
BDBM50286206
PNG
((R)-5-tert-Butylcarbamoyl-4-(2-chloro-phenyl)-6-me...)
Show SMILES CCOC(=O)C1=C(COCCn2c(C)nc3ccccc23)N=C(C)C([C@H]1c1ccccc1Cl)C(=O)NC(C)(C)C
Show InChI InChI=1S/C31H37ClN4O4/c1-7-40-30(38)28-24(18-39-17-16-36-20(3)34-23-14-10-11-15-25(23)36)33-19(2)26(29(37)35-31(4,5)6)27(28)21-12-8-9-13-22(21)32/h8-15,26-27H,7,16-18H2,1-6H3,(H,35,37)/t26?,27-/m1/s1
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n/an/a 2.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory effect on PAF induced platelets aggregation in rabbit


Bioorg Med Chem Lett 5: 3085-3090 (1995)

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


(Homo sapiens (Human))
BDBM50286203
PNG
(4-(2-Chloro-phenyl)-6-methyl-2-[2-(2-methyl-benzoi...)
Show SMILES CCOC(=O)C1=C(COCCn2c(C)nc3ccccc23)N=C(C)C(C1c1ccccc1Cl)C(=O)Nc1ccccn1
Show InChI InChI=1S/C32H32ClN5O4/c1-4-42-32(40)30-25(19-41-18-17-38-21(3)36-24-13-7-8-14-26(24)38)35-20(2)28(29(30)22-11-5-6-12-23(22)33)31(39)37-27-15-9-10-16-34-27/h5-16,28-29H,4,17-19H2,1-3H3,(H,34,37,39)
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n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory effect on PAF induced platelets aggregation in rabbit


Bioorg Med Chem Lett 5: 3085-3090 (1995)

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


(Homo sapiens (Human))
BDBM50282045
PNG
(1-{3-[5-(3-Chloro-4-methoxy-phenyl)-tetrahydro-fur...)
Show SMILES COc1ccc(cc1Cl)C1CCC(OCCCn2c(C)nc3cnccc23)O1
Show InChI InChI=1S/C21H24ClN3O3/c1-14-24-17-13-23-9-8-18(17)25(14)10-3-11-27-21-7-6-19(28-21)15-4-5-20(26-2)16(22)12-15/h4-5,8-9,12-13,19,21H,3,6-7,10-11H2,1-2H3
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n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]PAF receptor binding to washed human platelet membranes determined in vitro


Bioorg Med Chem Lett 3: 1499-1504 (1993)

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


(Homo sapiens (Human))
BDBM50011673
PNG
(4-(2-Chloro-phenyl)-9-methyl-2-(3-phenoxy-prop-1-y...)
Show SMILES Cc1nnc2CN=C(c3cc(sc3-n12)C#CCOc1ccccc1)c1ccccc1Cl
Show InChI InChI=1S/C24H17ClN4OS/c1-16-27-28-22-15-26-23(19-11-5-6-12-21(19)25)20-14-18(31-24(20)29(16)22)10-7-13-30-17-8-3-2-4-9-17/h2-6,8-9,11-12,14H,13,15H2,1H3
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n/an/a 3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
PAF-antagonist activity determined in dog platelets by PAF-binding assay


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


(Homo sapiens (Human))
BDBM50011663
PNG
(1-{3-[4-(2-Chloro-phenyl)-9-methyl-6H-1-thia-5,7,8...)
Show SMILES Cc1nnc2CN=C(c3cc(sc3-n12)C#CCN1C(=O)Cc2ccccc12)c1ccccc1Cl
Show InChI InChI=1S/C26H18ClN5OS/c1-16-29-30-23-15-28-25(19-9-3-4-10-21(19)27)20-14-18(34-26(20)32(16)23)8-6-12-31-22-11-5-2-7-17(22)13-24(31)33/h2-5,7,9-11,14H,12-13,15H2,1H3
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Roche Research Center

Curated by ChEMBL


Assay Description
PAF-antagonist activity determined in dog platelets by PAF-binding assay


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


(Homo sapiens (Human))
BDBM50013924
PNG
(3-(1-Butyl-4,7-dimethoxy-naphthalen-2-yl)-N-(1-met...)
Show SMILES CCCCc1c(\C=C\C(=O)N[C@@H](C)CCCc2cccnc2)cc(OC)c2ccc(OC)cc12
Show InChI InChI=1S/C29H36N2O3/c1-5-6-12-25-23(18-28(34-4)26-15-14-24(33-3)19-27(25)26)13-16-29(32)31-21(2)9-7-10-22-11-8-17-30-20-22/h8,11,13-21H,5-7,9-10,12H2,1-4H3,(H,31,32)/b16-13+/t21-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PAF binding to platelet activating factor receptor citrate-treated dog blood


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


(Homo sapiens (Human))
BDBM50018392
PNG
(5-(4-Methoxy-phenyl)-5-phenyl-penta-2,4-dienoic ac...)
Show SMILES COc1ccc(cc1)C(=C/C=C/C(=O)N[C@H](C)CCCc1cccnc1)\c1ccccc1
Show InChI InChI=1S/C28H30N2O2/c1-22(9-6-10-23-11-8-20-29-21-23)30-28(31)15-7-14-27(24-12-4-3-5-13-24)25-16-18-26(32-2)19-17-25/h3-5,7-8,11-22H,6,9-10H2,1-2H3,(H,30,31)/b15-7+,27-14-/t22-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PAF binding to dog platelets.


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


(Homo sapiens (Human))
BDBM50018316
PNG
(2-Butyl-3',4'-dimethoxy-biphenyl-4-carboxylic acid...)
Show SMILES CCCCc1cc(ccc1-c1ccc(OC)c(OC)c1)C(=O)N[C@H](C)CCCc1cccnc1
Show InChI InChI=1S/C29H36N2O3/c1-5-6-12-23-18-25(13-15-26(23)24-14-16-27(33-3)28(19-24)34-4)29(32)31-21(2)9-7-10-22-11-8-17-30-20-22/h8,11,13-21H,5-7,9-10,12H2,1-4H3,(H,31,32)/t21-/m1/s1
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Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of platelet activating factor receptor binding activity in dog platelets using [3H]-PAF as radioligand.


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


(Homo sapiens (Human))
BDBM50018341
PNG
(2-Ethyl-3',4'-dimethoxy-biphenyl-4-carboxylic acid...)
Show SMILES CCc1cc(ccc1-c1ccc(OC)c(OC)c1)C(=O)N[C@H](C)CCCc1cccnc1
Show InChI InChI=1S/C27H32N2O3/c1-5-21-16-23(11-13-24(21)22-12-14-25(31-3)26(17-22)32-4)27(30)29-19(2)8-6-9-20-10-7-15-28-18-20/h7,10-19H,5-6,8-9H2,1-4H3,(H,29,30)/t19-/m1/s1
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Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of platelet activating factor receptor binding activity in dog platelets using [3H]-PAF as radioligand.


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


(Homo sapiens (Human))
BDBM50011649
PNG
(4-{3-[4-(2-Chloro-phenyl)-9-methyl-6H-1-thia-5,7,8...)
Show SMILES Cc1nnc2CN=C(c3cc(sc3-n12)C#CCN1C(=O)COc2cc(F)ccc12)c1ccccc1Cl
Show InChI InChI=1S/C26H17ClFN5O2S/c1-15-30-31-23-13-29-25(18-6-2-3-7-20(18)27)19-12-17(36-26(19)33(15)23)5-4-10-32-21-9-8-16(28)11-22(21)35-14-24(32)34/h2-3,6-9,11-12H,10,13-14H2,1H3
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Roche Research Center

Curated by ChEMBL


Assay Description
PAF-antagonist activity determined in dog platelets by PAF-binding assay


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


(Homo sapiens (Human))
BDBM50011602
PNG
(2-{3-[4-(2-Chloro-phenyl)-9-methyl-6H-1-thia-5,7,8...)
Show SMILES Cc1nnc2CN=C(c3cc(sc3-n12)C#CCN1Cc2cccc3cccc(C1=O)c23)c1ccccc1Cl
Show InChI InChI=1S/C30H20ClN5OS/c1-18-33-34-26-16-32-28(22-11-2-3-13-25(22)31)24-15-21(38-30(24)36(18)26)10-6-14-35-17-20-9-4-7-19-8-5-12-23(27(19)20)29(35)37/h2-5,7-9,11-13,15H,14,16-17H2,1H3
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Roche Research Center

Curated by ChEMBL


Assay Description
PAF-antagonist activity determined in dog platelets by PAF-binding assay


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


(Homo sapiens (Human))
BDBM50011627
PNG
(4-(2-Chloro-phenyl)-9-methyl-2-[3-(pyridin-3-yloxy...)
Show SMILES Cc1nnc2CN=C(c3cc(sc3-n12)C#CCOc1cccnc1)c1ccccc1Cl
Show InChI InChI=1S/C23H16ClN5OS/c1-15-27-28-21-14-26-22(18-8-2-3-9-20(18)24)19-12-17(31-23(19)29(15)21)7-5-11-30-16-6-4-10-25-13-16/h2-4,6,8-10,12-13H,11,14H2,1H3
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Roche Research Center

Curated by ChEMBL


Assay Description
PAF-antagonist activity determined in dog platelets by PAF-binding assay


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


(Homo sapiens (Human))
BDBM50011646
PNG
(1-{3-[4-(2-Chloro-phenyl)-9-methyl-6H-1-thia-5,7,8...)
Show SMILES Cc1nnc2CN=C(c3cc(sc3-n12)C#CCN1C(=O)OCc2ccccc12)c1ccccc1Cl
Show InChI InChI=1S/C26H18ClN5O2S/c1-16-29-30-23-14-28-24(19-9-3-4-10-21(19)27)20-13-18(35-25(20)32(16)23)8-6-12-31-22-11-5-2-7-17(22)15-34-26(31)33/h2-5,7,9-11,13H,12,14-15H2,1H3
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Roche Research Center

Curated by ChEMBL


Assay Description
PAF-antagonist activity determined in dog platelets by PAF-binding assay


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


(Homo sapiens (Human))
BDBM50004633
PNG
((S)-4-(2-Chloro-phenyl)-6-methyl-2-[4-(2-methyl-im...)
Show SMILES CCOC(=O)C1=C(N=C(C)C(C1c1ccccc1Cl)C(=O)Nc1ccccn1)c1ccc(cc1)-n1c(C)nc2cnccc12
Show InChI InChI=1S/C34H29ClN6O3/c1-4-44-34(43)31-30(24-9-5-6-10-25(24)35)29(33(42)40-28-11-7-8-17-37-28)20(2)38-32(31)22-12-14-23(15-13-22)41-21(3)39-26-19-36-18-16-27(26)41/h5-19,29-30H,4H2,1-3H3,(H,37,40,42)
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n/an/a 4.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory effect on PAF induced platelets aggregation in rabbit


Bioorg Med Chem Lett 5: 3085-3090 (1995)

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


(Homo sapiens (Human))
BDBM50018315
PNG
(2-Ethynyl-3',4'-dimethoxy-biphenyl-4-carboxylic ac...)
Show SMILES COc1ccc(cc1OC)-c1ccc(cc1C#C)C(=O)N[C@H](C)CCCc1cccnc1
Show InChI InChI=1S/C27H28N2O3/c1-5-21-16-23(11-13-24(21)22-12-14-25(31-3)26(17-22)32-4)27(30)29-19(2)8-6-9-20-10-7-15-28-18-20/h1,7,10-19H,6,8-9H2,2-4H3,(H,29,30)/t19-/m1/s1
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Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of platelet activating factor receptor binding activity in dog platelets using [3H]-PAF as radioligand.


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


(Homo sapiens (Human))
BDBM50018325
PNG
(CHEMBL53584 | [1,1';2',1'']Terphenyl-4'-carboxylic...)
Show SMILES O=C(NCCCCc1cccnc1)c1ccc(-c2ccccc2)c(c1)-c1ccccc1
Show InChI InChI=1S/C28H26N2O/c31-28(30-19-8-7-10-22-11-9-18-29-21-22)25-16-17-26(23-12-3-1-4-13-23)27(20-25)24-14-5-2-6-15-24/h1-6,9,11-18,20-21H,7-8,10,19H2,(H,30,31)
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Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of platelet activating factor receptor binding activity in dog platelets using [3H]-PAF as radioligand.


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


(Homo sapiens (Human))
BDBM50018390
PNG
(5-(4-Methoxy-phenyl)-trideca-2,4-dienoic acid (1-m...)
Show SMILES CCCCCCCC\C(=C/C=C/C(=O)N[C@H](C)CCCc1cccnc1)c1ccc(OC)cc1
Show InChI InChI=1S/C30H42N2O2/c1-4-5-6-7-8-9-16-27(28-19-21-29(34-3)22-20-28)17-11-18-30(33)32-25(2)13-10-14-26-15-12-23-31-24-26/h11-12,15,17-25H,4-10,13-14,16H2,1-3H3,(H,32,33)/b18-11+,27-17+/t25-/m1/s1
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Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PAF binding to dog platelets.


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


(Homo sapiens (Human))
BDBM50282044
PNG
(1-{3-[5-(3,4-Dichloro-phenyl)-tetrahydro-furan-2-y...)
Show SMILES Cc1nc2cnccc2n1CCCOC1CCC(O1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H21Cl2N3O2/c1-13-24-17-12-23-8-7-18(17)25(13)9-2-10-26-20-6-5-19(27-20)14-3-4-15(21)16(22)11-14/h3-4,7-8,11-12,19-20H,2,5-6,9-10H2,1H3
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n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]PAF receptor binding to washed human platelet membranes determined in vitro


Bioorg Med Chem Lett 3: 1499-1504 (1993)

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


(Homo sapiens (Human))
BDBM50011666
PNG
(1-{3-[4-(2-Chloro-phenyl)-9-methyl-6H-1-thia-5,7,8...)
Show SMILES Cc1nnc2CN=C(c3cc(sc3-n12)C#CCN1C(=O)c2cccc3cccc1c23)c1ccccc1Cl
Show InChI InChI=1S/C29H18ClN5OS/c1-17-32-33-25-16-31-27(20-10-2-3-12-23(20)30)22-15-19(37-29(22)35(17)25)9-6-14-34-24-13-5-8-18-7-4-11-21(26(18)24)28(34)36/h2-5,7-8,10-13,15H,14,16H2,1H3
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Roche Research Center

Curated by ChEMBL


Assay Description
PAF-antagonist activity determined in dog platelets by PAF-binding assay


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


(Homo sapiens (Human))
BDBM50011632
PNG
(4-{3-[6-(2-Fluoro-phenyl)-1-methyl-4H-2,3,5,10b-te...)
Show SMILES Cc1nnc2CN=C(c3ccccc3F)c3cc(ccc3-n12)C#CCN1C(=O)COc2ccccc12
Show InChI InChI=1S/C28H20FN5O2/c1-18-31-32-26-16-30-28(20-8-2-3-9-22(20)29)21-15-19(12-13-23(21)34(18)26)7-6-14-33-24-10-4-5-11-25(24)36-17-27(33)35/h2-5,8-13,15H,14,16-17H2,1H3
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Roche Research Center

Curated by ChEMBL


Assay Description
PAF-antagonist activity determined in dog platelets by PAF-binding assay


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


(Homo sapiens (Human))
BDBM50011631
PNG
(2-{3-[6-(2-Fluoro-phenyl)-1-trifluoromethyl-4H-2,3...)
Show SMILES Fc1ccccc1C1=NCc2nnc(n2-c2ccc(cc12)C#CCN1C(=O)c2ccccc2C1=O)C(F)(F)F
Show InChI InChI=1S/C28H15F4N5O2/c29-21-10-4-3-9-19(21)24-20-14-16(6-5-13-36-25(38)17-7-1-2-8-18(17)26(36)39)11-12-22(20)37-23(15-33-24)34-35-27(37)28(30,31)32/h1-4,7-12,14H,13,15H2
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Roche Research Center

Curated by ChEMBL


Assay Description
PAF-antagonist activity determined in dog platelets by PAF-binding assay


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


(Homo sapiens (Human))
BDBM50011655
PNG
(6-Chloro-4-{3-[4-(2-chloro-phenyl)-9-methyl-6H-1-t...)
Show SMILES Cc1nnc2CN=C(c3cc(sc3-n12)C#CCN1C(=O)COc2ccc(Cl)cc12)c1ccccc1Cl
Show InChI InChI=1S/C26H17Cl2N5O2S/c1-15-30-31-23-13-29-25(18-6-2-3-7-20(18)28)19-12-17(36-26(19)33(15)23)5-4-10-32-21-11-16(27)8-9-22(21)35-14-24(32)34/h2-3,6-9,11-12H,10,13-14H2,1H3
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Roche Research Center

Curated by ChEMBL


Assay Description
PAF-antagonist activity determined in dog platelets by PAF-binding assay


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


(Homo sapiens (Human))
BDBM50011661
PNG
(2-{3-[4-(2-Chloro-phenyl)-9-methyl-6H-1-thia-5,7,8...)
Show SMILES Cc1nnc2CN=C(c3cc(sc3-n12)C#CCN1CCc2ccccc2C1=O)c1ccccc1Cl
Show InChI InChI=1S/C27H20ClN5OS/c1-17-30-31-24-16-29-25(21-10-4-5-11-23(21)28)22-15-19(35-27(22)33(17)24)8-6-13-32-14-12-18-7-2-3-9-20(18)26(32)34/h2-5,7,9-11,15H,12-14,16H2,1H3
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Roche Research Center

Curated by ChEMBL


Assay Description
PAF-antagonist activity determined in dog platelets by PAF-binding assay


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


(Homo sapiens (Human))
BDBM50011624
PNG
(2-(3-Benzoimidazol-1-yl-prop-1-ynyl)-4-(2-chloro-p...)
Show SMILES Cc1nnc2CN=C(c3cc(sc3-n12)C#CCn1cnc2ccccc12)c1ccccc1Cl
Show InChI InChI=1S/C25H17ClN6S/c1-16-29-30-23-14-27-24(18-8-2-3-9-20(18)26)19-13-17(33-25(19)32(16)23)7-6-12-31-15-28-21-10-4-5-11-22(21)31/h2-5,8-11,13,15H,12,14H2,1H3
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Roche Research Center

Curated by ChEMBL


Assay Description
PAF-antagonist activity determined in dog platelets by PAF-binding assay


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


(Homo sapiens (Human))
BDBM50002823
PNG
(2-{3-Methoxy-2-propoxy-5-[(2S,5S)-5-(3,4,5-trimeth...)
Show SMILES CCCOc1c(OC)cc(cc1S(=O)(=O)CCO)[C@@H]1CC[C@H](O1)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C25H34O9S/c1-6-10-33-25-22(31-4)14-17(15-23(25)35(27,28)11-9-26)19-8-7-18(34-19)16-12-20(29-2)24(32-5)21(13-16)30-3/h12-15,18-19,26H,6-11H2,1-5H3/t18-,19-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Displacement of [3H]-PAF from PAF receptor of human platelet membranes


J Med Chem 41: 1970-9 (1998)

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


(Homo sapiens (Human))
BDBM50011612
PNG
(1-{3-[6-(2-Fluoro-phenyl)-1,4-dimethyl-4H-2,3,5,10...)
Show SMILES C[C@@H]1N=C(c2ccccc2F)c2cc(ccc2-n2c(C)nnc12)C#CCN1C(=O)CCc2ccccc12
Show InChI InChI=1S/C30H24FN5O/c1-19-30-34-33-20(2)36(30)27-15-13-21(18-24(27)29(32-19)23-10-4-5-11-25(23)31)8-7-17-35-26-12-6-3-9-22(26)14-16-28(35)37/h3-6,9-13,15,18-19H,14,16-17H2,1-2H3/t19-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
PAF-antagonist activity determined in dog platelets by PAF-binding assay


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


(Homo sapiens (Human))
BDBM50013921
PNG
(3-(1-Butyl-5-methoxy-naphthalen-2-yl)-N-(1-methyl-...)
Show SMILES CCCCc1c(\C=C\C(=O)N[C@@H](C)CCCc2cccnc2)ccc2c(OC)cccc12
Show InChI InChI=1S/C28H34N2O2/c1-4-5-12-24-23(15-17-26-25(24)13-7-14-27(26)32-3)16-18-28(31)30-21(2)9-6-10-22-11-8-19-29-20-22/h7-8,11,13-21H,4-6,9-10,12H2,1-3H3,(H,30,31)/b18-16+/t21-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PAF binding to platelet activating factor receptor citrate-treated dog blood


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


(Homo sapiens (Human))
BDBM50011660
PNG
(1-{3-[4-(2-Chloro-phenyl)-9-methyl-6H-1-thia-5,7,8...)
Show SMILES Cc1nnc2CN=C(c3cc(sc3-n12)C#CCN1C(=O)NCc2ccccc12)c1ccccc1Cl
Show InChI InChI=1S/C26H19ClN6OS/c1-16-30-31-23-15-28-24(19-9-3-4-10-21(19)27)20-13-18(35-25(20)33(16)23)8-6-12-32-22-11-5-2-7-17(22)14-29-26(32)34/h2-5,7,9-11,13H,12,14-15H2,1H3,(H,29,34)
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n/an/a 6n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
PAF-antagonist activity determined in dog platelets by PAF-binding assay


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


(Homo sapiens (Human))
BDBM50011625
PNG
(5-{3-[4-(2-Chloro-phenyl)-9-methyl-6H-1-thia-5,7,8...)
Show SMILES Cc1nnc2CN=C(c3cc(sc3-n12)C#CCn1c2ccccc2c(=O)c2ccccc2c1=O)c1ccccc1Cl
Show InChI InChI=1S/C32H20ClN5O2S/c1-19-35-36-28-18-34-29(23-12-4-6-14-26(23)33)25-17-20(41-32(25)38(19)28)9-8-16-37-27-15-7-5-13-24(27)30(39)21-10-2-3-11-22(21)31(37)40/h2-7,10-15,17H,16,18H2,1H3
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n/an/a 6n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
PAF-antagonist activity determined in dog platelets by PAF-binding assay


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


(Homo sapiens (Human))
BDBM50011648
PNG
(1-{3-[4-(2-Chloro-phenyl)-9-methyl-6H-1-thia-5,7,8...)
Show SMILES Cc1nnc2CN=C(c3cc(sc3-n12)C#CCn1c2ccccc2n(C=C=C)c1=O)c1ccccc1Cl
Show InChI InChI=1S/C28H19ClN6OS/c1-3-14-33-23-12-6-7-13-24(23)34(28(33)36)15-8-9-19-16-21-26(20-10-4-5-11-22(20)29)30-17-25-32-31-18(2)35(25)27(21)37-19/h4-7,10-14,16H,1,15,17H2,2H3
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n/an/a 6n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
PAF-antagonist activity determined in dog platelets by PAF-binding assay


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


(Homo sapiens (Human))
BDBM50286211
PNG
(4-(2-Chloro-phenyl)-6-methyl-2-[2-(2-methyl-imidaz...)
Show SMILES CCOC(=O)C1=C(COCCn2c(C)nc3ncccc23)N=C(C)C(C1c1ccccc1Cl)C(=O)Nc1ccccn1
Show InChI InChI=1S/C31H31ClN6O4/c1-4-42-31(40)28-23(18-41-17-16-38-20(3)36-29-24(38)12-9-15-34-29)35-19(2)26(27(28)21-10-5-6-11-22(21)32)30(39)37-25-13-7-8-14-33-25/h5-15,26-27H,4,16-18H2,1-3H3,(H,33,37,39)
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n/an/a 6.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory effect on PAF induced platelets aggregation in rabbit


Bioorg Med Chem Lett 5: 3085-3090 (1995)

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


(Homo sapiens (Human))
BDBM50282042
PNG
(1-{3-[5-(4-Fluoro-phenyl)-tetrahydro-furan-2-yloxy...)
Show SMILES Cc1nc2cnccc2n1CCCOC1CCC(O1)c1ccc(F)cc1
Show InChI InChI=1S/C20H22FN3O2/c1-14-23-17-13-22-10-9-18(17)24(14)11-2-12-25-20-8-7-19(26-20)15-3-5-16(21)6-4-15/h3-6,9-10,13,19-20H,2,7-8,11-12H2,1H3
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n/an/a 7n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]PAF receptor binding to washed human platelet membranes determined in vitro


Bioorg Med Chem Lett 3: 1499-1504 (1993)

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


(Homo sapiens (Human))
BDBM50282036
PNG
(1-{3-[(2S,5R)-5-(3,4-Dimethoxy-phenyl)-tetrahydro-...)
Show SMILES COc1ccc(cc1OC)[C@H]1CC[C@@H](OCCCn2c(C)nc3cnccc23)O1
Show InChI InChI=1S/C22H27N3O4/c1-15-24-17-14-23-10-9-18(17)25(15)11-4-12-28-22-8-7-19(29-22)16-5-6-20(26-2)21(13-16)27-3/h5-6,9-10,13-14,19,22H,4,7-8,11-12H2,1-3H3/t19-,22+/m1/s1
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n/an/a 7n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]PAF receptor binding to washed human platelet membranes determined in vitro


Bioorg Med Chem Lett 3: 1499-1504 (1993)

More data for this
Ligand-Target Pair
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