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Compile Data Set for Download or QSAR

Found 35 hits Enz. Inhib. hit(s) with all data for entry = 50001013   
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


(Homo sapiens (Human))
BDBM50011872
PNG
(4-(2-Chloro-phenyl)-9-methyl-2-[2-(5-pyridin-2-yl-...)
Show SMILES Cc1nnc2CN=C(c3cc(CCc4ccc(s4)-c4ccccn4)sc3-n12)c1ccccc1Cl |c:6|
Show InChI InChI=1S/C26H20ClN5S2/c1-16-30-31-24-15-29-25(19-6-2-3-7-21(19)27)20-14-18(34-26(20)32(16)24)10-9-17-11-12-23(33-17)22-8-4-5-13-28-22/h2-8,11-14H,9-10,15H2,1H3
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n/an/a 8n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
In vitro for platelet activating factor receptor antagonist activity in a binding assay using washed whole dog platelets.


J Med Chem 34: 1440-6 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2MZ9
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50011862
PNG
(2-[2-(4-Butyl-phenyl)-vinyl]-4-(2-chloro-phenyl)-9...)
Show SMILES CCCCc1ccc(\C=C/c2cc3c(s2)-n2c(C)nnc2CN=C3c2ccccc2Cl)cc1 |c:24|
Show InChI InChI=1S/C27H25ClN4S/c1-3-4-7-19-10-12-20(13-11-19)14-15-21-16-23-26(22-8-5-6-9-24(22)28)29-17-25-31-30-18(2)32(25)27(23)33-21/h5-6,8-16H,3-4,7,17H2,1-2H3/b15-14-
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Roche Research Center

Curated by ChEMBL


Assay Description
In vitro for platelet activating factor receptor antagonist activity in a binding assay using washed whole dog platelets.


J Med Chem 34: 1440-6 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2MZ9
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50011866
PNG
(2-[2-(4-Butyl-phenyl)-ethyl]-4-(2-chloro-phenyl)-9...)
Show SMILES CCCCc1ccc(CCc2cc3c(s2)-n2c(C)nnc2CN=C3c2ccccc2Cl)cc1 |c:24|
Show InChI InChI=1S/C27H27ClN4S/c1-3-4-7-19-10-12-20(13-11-19)14-15-21-16-23-26(22-8-5-6-9-24(22)28)29-17-25-31-30-18(2)32(25)27(23)33-21/h5-6,8-13,16H,3-4,7,14-15,17H2,1-2H3
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Roche Research Center

Curated by ChEMBL


Assay Description
In vitro for platelet activating factor receptor antagonist activity in a binding assay using washed whole dog platelets.


J Med Chem 34: 1440-6 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2MZ9
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50011876
PNG
(4-(2-Chloro-phenyl)-2-ethynyl-9-methyl-6H-1-thia-5...)
Show SMILES Cc1nnc2CN=C(c3cc(sc3-n12)C#C)c1ccccc1Cl |c:6|
Show InChI InChI=1S/C17H11ClN4S/c1-3-11-8-13-16(12-6-4-5-7-14(12)18)19-9-15-21-20-10(2)22(15)17(13)23-11/h1,4-8H,9H2,2H3
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Roche Research Center

Curated by ChEMBL


Assay Description
In vitro for platelet activating factor receptor antagonist activity in a binding assay using washed whole dog platelets.


J Med Chem 34: 1440-6 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2MZ9
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50011852
PNG
(4-(2-Chloro-phenyl)-2-(2-indan-5-yl-ethyl)-9-methy...)
Show SMILES Cc1nnc2CN=C(c3cc(CCc4ccc5CCCc5c4)sc3-n12)c1ccccc1Cl |c:6|
Show InChI InChI=1S/C26H23ClN4S/c1-16-29-30-24-15-28-25(21-7-2-3-8-23(21)27)22-14-20(32-26(22)31(16)24)12-10-17-9-11-18-5-4-6-19(18)13-17/h2-3,7-9,11,13-14H,4-6,10,12,15H2,1H3
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Roche Research Center

Curated by ChEMBL


Assay Description
In vitro for platelet activating factor receptor antagonist activity in a binding assay using washed whole dog platelets.


J Med Chem 34: 1440-6 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2MZ9
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50011877
PNG
(4-(2-Chloro-phenyl)-9-methyl-2-trimethylsilanyleth...)
Show SMILES Cc1nnc2CN=C(c3cc(sc3-n12)C#C[Si](C)(C)C)c1ccccc1Cl |c:6|
Show InChI InChI=1S/C20H19ClN4SSi/c1-13-23-24-18-12-22-19(15-7-5-6-8-17(15)21)16-11-14(9-10-27(2,3)4)26-20(16)25(13)18/h5-8,11H,12H2,1-4H3
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Roche Research Center

Curated by ChEMBL


Assay Description
In vitro for platelet activating factor receptor antagonist activity in a binding assay using washed whole dog platelets.


J Med Chem 34: 1440-6 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2MZ9
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50011864
PNG
(4-(2-Chloro-phenyl)-2-[2-(2,3-dihydro-benzofuran-5...)
Show SMILES Cc1nnc2CN=C(c3cc(CCc4ccc5OCCc5c4)sc3-n12)c1ccccc1Cl |c:6|
Show InChI InChI=1S/C25H21ClN4OS/c1-15-28-29-23-14-27-24(19-4-2-3-5-21(19)26)20-13-18(32-25(20)30(15)23)8-6-16-7-9-22-17(12-16)10-11-31-22/h2-5,7,9,12-13H,6,8,10-11,14H2,1H3
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Roche Research Center

Curated by ChEMBL


Assay Description
In vitro for platelet activating factor receptor antagonist activity in a binding assay using washed whole dog platelets.


J Med Chem 34: 1440-6 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2MZ9
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50011853
PNG
(4-(2-Chloro-phenyl)-2-[2-(4-isobutyl-phenyl)-ethyl...)
Show SMILES CC(C)Cc1ccc(CCc2cc3c(s2)-n2c(C)nnc2CN=C3c2ccccc2Cl)cc1 |c:24|
Show InChI InChI=1S/C27H27ClN4S/c1-17(2)14-20-10-8-19(9-11-20)12-13-21-15-23-26(22-6-4-5-7-24(22)28)29-16-25-31-30-18(3)32(25)27(23)33-21/h4-11,15,17H,12-14,16H2,1-3H3
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Roche Research Center

Curated by ChEMBL


Assay Description
In vitro for platelet activating factor receptor antagonist activity in a binding assay using washed whole dog platelets.


J Med Chem 34: 1440-6 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2MZ9
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50011868
PNG
(4-(2-Chloro-phenyl)-2-[2-(4-cyclohexyl-phenyl)-eth...)
Show SMILES Cc1nnc2CN=C(c3cc(CCc4ccc(cc4)C4CCCCC4)sc3-n12)c1ccccc1Cl |c:6|
Show InChI InChI=1S/C29H29ClN4S/c1-19-32-33-27-18-31-28(24-9-5-6-10-26(24)30)25-17-23(35-29(25)34(19)27)16-13-20-11-14-22(15-12-20)21-7-3-2-4-8-21/h5-6,9-12,14-15,17,21H,2-4,7-8,13,16,18H2,1H3
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Roche Research Center

Curated by ChEMBL


Assay Description
In vitro for platelet activating factor receptor antagonist activity in a binding assay using washed whole dog platelets.


J Med Chem 34: 1440-6 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2MZ9
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50011861
PNG
(4-(2-Chloro-phenyl)-9-methyl-2-(5-pyridin-2-yl-thi...)
Show SMILES Cc1nnc2CN=C(c3cc(sc3-n12)C#Cc1ccc(s1)-c1ccccn1)c1ccccc1Cl |c:6|
Show InChI InChI=1S/C26H16ClN5S2/c1-16-30-31-24-15-29-25(19-6-2-3-7-21(19)27)20-14-18(34-26(20)32(16)24)10-9-17-11-12-23(33-17)22-8-4-5-13-28-22/h2-8,11-14H,15H2,1H3
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Roche Research Center

Curated by ChEMBL


Assay Description
In vitro for platelet activating factor receptor antagonist activity in a binding assay using washed whole dog platelets.


J Med Chem 34: 1440-6 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2MZ9
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50011857
PNG
(4-(2-Chloro-phenyl)-2-[2-(4-isobutyl-phenyl)-vinyl...)
Show SMILES CC(C)Cc1ccc(\C=C/c2cc3c(s2)-n2c(C)nnc2CN=C3c2ccccc2Cl)cc1 |c:24|
Show InChI InChI=1S/C27H25ClN4S/c1-17(2)14-20-10-8-19(9-11-20)12-13-21-15-23-26(22-6-4-5-7-24(22)28)29-16-25-31-30-18(3)32(25)27(23)33-21/h4-13,15,17H,14,16H2,1-3H3/b13-12-
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Roche Research Center

Curated by ChEMBL


Assay Description
In vitro for platelet activating factor receptor antagonist activity in a binding assay using washed whole dog platelets.


J Med Chem 34: 1440-6 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2MZ9
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50011871
PNG
(4-(2-Chloro-phenyl)-2-(4-isobutyl-phenylethynyl)-9...)
Show SMILES CC(C)Cc1ccc(cc1)C#Cc1cc2c(s1)-n1c(C)nnc1CN=C2c1ccccc1Cl |c:27|
Show InChI InChI=1S/C27H23ClN4S/c1-17(2)14-20-10-8-19(9-11-20)12-13-21-15-23-26(22-6-4-5-7-24(22)28)29-16-25-31-30-18(3)32(25)27(23)33-21/h4-11,15,17H,14,16H2,1-3H3
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Roche Research Center

Curated by ChEMBL


Assay Description
Compound tested in vitro for Platelet activating factor receptor antagonist activity in a binding assay using washed whole dog platelets


J Med Chem 34: 1440-6 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2MZ9
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50011878
PNG
(4-(2-Chloro-phenyl)-9-methyl-2-phenylethynyl-6H-1-...)
Show SMILES Cc1nnc2CN=C(c3cc(sc3-n12)C#Cc1ccccc1)c1ccccc1Cl |c:6|
Show InChI InChI=1S/C23H15ClN4S/c1-15-26-27-21-14-25-22(18-9-5-6-10-20(18)24)19-13-17(29-23(19)28(15)21)12-11-16-7-3-2-4-8-16/h2-10,13H,14H2,1H3
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Roche Research Center

Curated by ChEMBL


Assay Description
Compound tested in vitro for Platelet activating factor receptor antagonist activity in a binding assay using washed whole dog platelets


J Med Chem 34: 1440-6 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2MZ9
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50011879
PNG
(4-(2-Chloro-phenyl)-2-[2-(4-imidazol-1-yl-phenyl)-...)
Show SMILES Cc1nnc2CN=C(c3cc(CCc4ccc(cc4)-n4ccnc4)sc3-n12)c1ccccc1Cl |c:6|
Show InChI InChI=1S/C26H21ClN6S/c1-17-30-31-24-15-29-25(21-4-2-3-5-23(21)27)22-14-20(34-26(22)33(17)24)11-8-18-6-9-19(10-7-18)32-13-12-28-16-32/h2-7,9-10,12-14,16H,8,11,15H2,1H3
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Roche Research Center

Curated by ChEMBL


Assay Description
In vitro for platelet activating factor receptor antagonist activity in a binding assay using washed whole dog platelets.


J Med Chem 34: 1440-6 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2MZ9
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50011860
PNG
(4-(2-Chloro-phenyl)-2-(2-indan-5-yl-vinyl)-9-methy...)
Show SMILES Cc1nnc2CN=C(c3cc(\C=C/c4ccc5CCCc5c4)sc3-n12)c1ccccc1Cl |c:6|
Show InChI InChI=1S/C26H21ClN4S/c1-16-29-30-24-15-28-25(21-7-2-3-8-23(21)27)22-14-20(32-26(22)31(16)24)12-10-17-9-11-18-5-4-6-19(18)13-17/h2-3,7-14H,4-6,15H2,1H3/b12-10-
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Roche Research Center

Curated by ChEMBL


Assay Description
In vitro for platelet activating factor receptor antagonist activity in a binding assay using washed whole dog platelets.


J Med Chem 34: 1440-6 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2MZ9
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50011880
PNG
(4-(2-Chloro-phenyl)-2-[2-(4-cyclohexyl-phenyl)-vin...)
Show SMILES Cc1nnc2CN=C(c3cc(\C=C/c4ccc(cc4)C4CCCCC4)sc3-n12)c1ccccc1Cl |c:6|
Show InChI InChI=1S/C29H27ClN4S/c1-19-32-33-27-18-31-28(24-9-5-6-10-26(24)30)25-17-23(35-29(25)34(19)27)16-13-20-11-14-22(15-12-20)21-7-3-2-4-8-21/h5-6,9-17,21H,2-4,7-8,18H2,1H3/b16-13-
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Roche Research Center

Curated by ChEMBL


Assay Description
In vitro for platelet activating factor receptor antagonist activity in a binding assay using washed whole dog platelets.


J Med Chem 34: 1440-6 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2MZ9
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50011855
PNG
(4-(2-Chloro-phenyl)-9-methyl-2-naphthalen-1-ylethy...)
Show SMILES Cc1nnc2CN=C(c3cc(sc3-n12)C#Cc1cccc2ccccc12)c1ccccc1Cl |c:6|
Show InChI InChI=1S/C27H17ClN4S/c1-17-30-31-25-16-29-26(22-11-4-5-12-24(22)28)23-15-20(33-27(23)32(17)25)14-13-19-9-6-8-18-7-2-3-10-21(18)19/h2-12,15H,16H2,1H3
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Roche Research Center

Curated by ChEMBL


Assay Description
Compound tested in vitro for Platelet activating factor receptor antagonist activity in a binding assay using washed whole dog platelets


J Med Chem 34: 1440-6 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2MZ9
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50011858
PNG
(3-[4-(2-Chloro-phenyl)-9-methyl-6H-1-thia-5,7,8,9a...)
Show SMILES Cc1nnc2CN=C(c3cc(sc3-n12)C#CCO)c1ccccc1Cl |c:6|
Show InChI InChI=1S/C18H13ClN4OS/c1-11-21-22-16-10-20-17(13-6-2-3-7-15(13)19)14-9-12(5-4-8-24)25-18(14)23(11)16/h2-3,6-7,9,24H,8,10H2,1H3
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Roche Research Center

Curated by ChEMBL


Assay Description
In vitro for platelet activating factor receptor antagonist activity in a binding assay using washed whole dog platelets.


J Med Chem 34: 1440-6 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2MZ9
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50011881
PNG
(3-[4-(2-Chloro-phenyl)-9-methyl-6H-1-thia-5,7,8,9a...)
Show SMILES Cc1nnc2CN=C(c3cc(\C=C/C(=O)N4CCOCC4)sc3-n12)c1ccccc1Cl |c:6|
Show InChI InChI=1S/C22H20ClN5O2S/c1-14-25-26-19-13-24-21(16-4-2-3-5-18(16)23)17-12-15(31-22(17)28(14)19)6-7-20(29)27-8-10-30-11-9-27/h2-7,12H,8-11,13H2,1H3/b7-6-
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Roche Research Center

Curated by ChEMBL


Assay Description
In vitro for platelet activating factor receptor antagonist activity in a binding assay using washed whole dog platelets.


J Med Chem 34: 1440-6 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2MZ9
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50000714
PNG
(3-[4-(2-Chloro-phenyl)-9-methyl-6H-1-thia-5,7,8,9a...)
Show SMILES Cc1nnc2CN=C(c3cc(CCC(=O)N4CCOCC4)sc3-n12)c1ccccc1Cl |c:6|
Show InChI InChI=1S/C22H22ClN5O2S/c1-14-25-26-19-13-24-21(16-4-2-3-5-18(16)23)17-12-15(31-22(17)28(14)19)6-7-20(29)27-8-10-30-11-9-27/h2-5,12H,6-11,13H2,1H3
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Roche Research Center

Curated by ChEMBL


Assay Description
In vitro for platelet activating factor receptor antagonist activity in a binding assay using washed whole dog platelets.


J Med Chem 34: 1440-6 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2MZ9
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50011883
PNG
(4-(2-Chloro-phenyl)-9-methyl-2-pyridin-2-ylethynyl...)
Show SMILES Cc1nnc2CN=C(c3cc(sc3-n12)C#Cc1ccccn1)c1ccccc1Cl |c:6|
Show InChI InChI=1S/C22H14ClN5S/c1-14-26-27-20-13-25-21(17-7-2-3-8-19(17)23)18-12-16(29-22(18)28(14)20)10-9-15-6-4-5-11-24-15/h2-8,11-12H,13H2,1H3
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n/an/a 250n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
In vitro for platelet activating factor receptor antagonist activity in a binding assay using washed whole dog platelets.


J Med Chem 34: 1440-6 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2MZ9
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50011865
PNG
(3-[4-(2-Chloro-phenyl)-9-methyl-6H-1-thia-5,7,8,9a...)
Show SMILES Cc1nnc2CN=C(c3cc(sc3-n12)C#CC(=O)N1CCOCC1)c1ccccc1Cl |c:6|
Show InChI InChI=1S/C22H18ClN5O2S/c1-14-25-26-19-13-24-21(16-4-2-3-5-18(16)23)17-12-15(31-22(17)28(14)19)6-7-20(29)27-8-10-30-11-9-27/h2-5,12H,8-11,13H2,1H3
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n/an/a 260n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Compound tested in vitro for Platelet activating factor receptor antagonist activity in a binding assay using washed whole dog platelets


J Med Chem 34: 1440-6 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2MZ9
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50011874
PNG
(4-(2-Chloro-phenyl)-2-(4-cyclohexyl-phenylethynyl)...)
Show SMILES Cc1nnc2CN=C(c3cc(sc3-n12)C#Cc1ccc(cc1)C1CCCCC1)c1ccccc1Cl |c:6|
Show InChI InChI=1S/C29H25ClN4S/c1-19-32-33-27-18-31-28(24-9-5-6-10-26(24)30)25-17-23(35-29(25)34(19)27)16-13-20-11-14-22(15-12-20)21-7-3-2-4-8-21/h5-6,9-12,14-15,17,21H,2-4,7-8,18H2,1H3
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n/an/a 300n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
In vitro for platelet activating factor receptor antagonist activity in a binding assay using washed whole dog platelets.


J Med Chem 34: 1440-6 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2MZ9
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50011875
PNG
(2-Bromo-4-(2-chloro-phenyl)-9-methyl-6H-1-thia-5,7...)
Show SMILES Cc1nnc2CN=C(c3cc(Br)sc3-n12)c1ccccc1Cl |c:6|
Show InChI InChI=1S/C15H10BrClN4S/c1-8-19-20-13-7-18-14(9-4-2-3-5-11(9)17)10-6-12(16)22-15(10)21(8)13/h2-6H,7H2,1H3
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n/an/a 300n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
In vitro for platelet activating factor receptor antagonist activity in a binding assay using washed whole dog platelets.


J Med Chem 34: 1440-6 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2MZ9
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50011628
PNG
(4-(2-Chloro-phenyl)-2-iodo-9-methyl-6H-1-thia-5,7,...)
Show SMILES Cc1nnc2CN=C(c3cc(I)sc3-n12)c1ccccc1Cl |c:6|
Show InChI InChI=1S/C15H10ClIN4S/c1-8-19-20-13-7-18-14(9-4-2-3-5-11(9)16)10-6-12(17)22-15(10)21(8)13/h2-6H,7H2,1H3
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n/an/a 370n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
In vitro for platelet activating factor receptor antagonist activity in a binding assay using washed whole dog platelets.


J Med Chem 34: 1440-6 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2MZ9
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50011854
PNG
(4-(2-Chloro-phenyl)-2-indan-5-ylethynyl-9-methyl-6...)
Show SMILES Cc1nnc2CN=C(c3cc(sc3-n12)C#Cc1ccc2CCCc2c1)c1ccccc1Cl |c:6|
Show InChI InChI=1S/C26H19ClN4S/c1-16-29-30-24-15-28-25(21-7-2-3-8-23(21)27)22-14-20(32-26(22)31(16)24)12-10-17-9-11-18-5-4-6-19(18)13-17/h2-3,7-9,11,13-14H,4-6,15H2,1H3
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n/an/a 380n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
In vitro for platelet activating factor receptor antagonist activity in a binding assay using washed whole dog platelets.


J Med Chem 34: 1440-6 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2MZ9
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50011863
PNG
(4-(2-Chloro-phenyl)-9-methyl-2-(2-pyridin-2-yl-vin...)
Show SMILES Cc1nnc2CN=C(c3cc(\C=C/c4ccccn4)sc3-n12)c1ccccc1Cl |c:6|
Show InChI InChI=1S/C22H16ClN5S/c1-14-26-27-20-13-25-21(17-7-2-3-8-19(17)23)18-12-16(29-22(18)28(14)20)10-9-15-6-4-5-11-24-15/h2-12H,13H2,1H3/b10-9-
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n/an/a 400n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Compound tested in vitro for Platelet activating factor receptor antagonist activity in a binding assay using washed whole dog platelets


J Med Chem 34: 1440-6 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2MZ9
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50011867
PNG
(4-(2-Chloro-phenyl)-9-methyl-2-(2,2,7-trimethyl-2,...)
Show SMILES Cc1nnc2CN=C(c3cc(sc3-n12)C#Cc1cc2CC(C)(C)Oc2c(C)c1)c1ccccc1Cl |c:6|
Show InChI InChI=1S/C28H23ClN4OS/c1-16-11-18(12-19-14-28(3,4)34-26(16)19)9-10-20-13-22-25(21-7-5-6-8-23(21)29)30-15-24-32-31-17(2)33(24)27(22)35-20/h5-8,11-13H,14-15H2,1-4H3
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n/an/a 400n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
In vitro for platelet activating factor receptor antagonist activity in a binding assay using washed whole dog platelets.


J Med Chem 34: 1440-6 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2MZ9
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50011873
PNG
(4-(2-Chloro-phenyl)-9-methyl-2-[2-(2,2,7-trimethyl...)
Show SMILES Cc1nnc2CN=C(c3cc(CCc4cc5CC(C)(C)Oc5c(C)c4)sc3-n12)c1ccccc1Cl |c:6|
Show InChI InChI=1S/C28H27ClN4OS/c1-16-11-18(12-19-14-28(3,4)34-26(16)19)9-10-20-13-22-25(21-7-5-6-8-23(21)29)30-15-24-32-31-17(2)33(24)27(22)35-20/h5-8,11-13H,9-10,14-15H2,1-4H3
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n/an/a 400n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
In vitro for platelet activating factor receptor antagonist activity in a binding assay using washed whole dog platelets.


J Med Chem 34: 1440-6 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2MZ9
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50011884
PNG
(4-(2-Chloro-phenyl)-2-(2,3-dihydro-benzofuran-5-yl...)
Show SMILES Cc1nnc2CN=C(c3cc(sc3-n12)C#Cc1ccc2OCCc2c1)c1ccccc1Cl |c:6|
Show InChI InChI=1S/C25H17ClN4OS/c1-15-28-29-23-14-27-24(19-4-2-3-5-21(19)26)20-13-18(32-25(20)30(15)23)8-6-16-7-9-22-17(12-16)10-11-31-22/h2-5,7,9,12-13H,10-11,14H2,1H3
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n/an/a 420n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
In vitro for platelet activating factor receptor antagonist activity in a binding assay using washed whole dog platelets.


J Med Chem 34: 1440-6 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2MZ9
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50011882
PNG
(3-[4-(2-Chloro-phenyl)-9-methyl-6H-1-thia-5,7,8,9a...)
Show SMILES Cc1nnc2CN=C(c3cc(sc3-n12)C(CC(=O)N1CCOCC1)N=N)c1ccccc1Cl |c:6|
Show InChI InChI=1S/C22H22ClN7O2S/c1-13-27-28-19-12-25-21(14-4-2-3-5-16(14)23)15-10-18(33-22(15)30(13)19)17(26-24)11-20(31)29-6-8-32-9-7-29/h2-5,10,17,24H,6-9,11-12H2,1H3
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n/an/a 420n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
In vitro for platelet activating factor receptor antagonist activity in a binding assay using washed whole dog platelets.


J Med Chem 34: 1440-6 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2MZ9
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50011870
PNG
(3-[4-(2-Chloro-phenyl)-9-methyl-6H-1-thia-5,7,8,9a...)
Show SMILES Cc1nnc2CN=C(c3cc(\C=C\C(=O)N4CCOCC4)sc3-n12)c1ccccc1Cl |c:6|
Show InChI InChI=1S/C22H20ClN5O2S/c1-14-25-26-19-13-24-21(16-4-2-3-5-18(16)23)17-12-15(31-22(17)28(14)19)6-7-20(29)27-8-10-30-11-9-27/h2-7,12H,8-11,13H2,1H3/b7-6+
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n/an/a 450n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
In vitro for platelet activating factor receptor antagonist activity in a binding assay using washed whole dog platelets.


J Med Chem 34: 1440-6 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2MZ9
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50011869
PNG
(2-(4-Butyl-phenylethynyl)-4-(2-chloro-phenyl)-9-me...)
Show SMILES CCCCc1ccc(cc1)C#Cc1cc2c(s1)-n1c(C)nnc1CN=C2c1ccccc1Cl |c:27|
Show InChI InChI=1S/C27H23ClN4S/c1-3-4-7-19-10-12-20(13-11-19)14-15-21-16-23-26(22-8-5-6-9-24(22)28)29-17-25-31-30-18(2)32(25)27(23)33-21/h5-6,8-13,16H,3-4,7,17H2,1-2H3
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n/an/a 650n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
In vitro for platelet activating factor receptor antagonist activity in a binding assay using washed whole dog platelets.


J Med Chem 34: 1440-6 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2MZ9
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50011859
PNG
(5-[4-(2-Chloro-phenyl)-9-methyl-6H-1-thia-5,7,8,9a...)
Show SMILES Cc1nnc2CN=C(c3cc(sc3-n12)-c1cc(=O)[nH][nH]1)c1ccccc1Cl |c:6|
Show InChI InChI=1S/C18H13ClN6OS/c1-9-21-23-15-8-20-17(10-4-2-3-5-12(10)19)11-6-14(27-18(11)25(9)15)13-7-16(26)24-22-13/h2-7H,8H2,1H3,(H2,22,24,26)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
In vitro for platelet activating factor receptor antagonist activity in a binding assay using washed whole dog platelets.


J Med Chem 34: 1440-6 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2MZ9
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50011856
PNG
(CHEMBL33217 | {5-[4-(2-Chloro-phenyl)-9-methyl-6H-...)
Show SMILES Cc1nnc2CN=C(c3cc(sc3-n12)-c1nn[nH]c1C(=O)N1CCOCC1)c1ccccc1Cl |c:6|
Show InChI InChI=1S/C22H19ClN8O2S/c1-12-25-26-17-11-24-18(13-4-2-3-5-15(13)23)14-10-16(34-22(14)31(12)17)19-20(28-29-27-19)21(32)30-6-8-33-9-7-30/h2-5,10H,6-9,11H2,1H3,(H,27,28,29)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
In vitro for platelet activating factor receptor antagonist activity in a binding assay using washed whole dog platelets.


J Med Chem 34: 1440-6 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2MZ9
More data for this
Ligand-Target Pair