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Compile Data Set for Download or QSAR

Found 149 hits with Last Name = 'yaremko' and Initial = 'b'   
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))
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 |c:6|
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


J Med Chem 34: 1209-21 (1991)


BindingDB Entry DOI: 10.7270/Q23X85M1
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 |c:6|
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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Roche Research Center

Curated by ChEMBL


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


J Med Chem 34: 1209-21 (1991)


BindingDB Entry DOI: 10.7270/Q23X85M1
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 |c:6|
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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Roche Research Center

Curated by ChEMBL


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


J Med Chem 34: 1209-21 (1991)


BindingDB Entry DOI: 10.7270/Q23X85M1
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 |c:6|
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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Roche Research Center

Curated by ChEMBL


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


J Med Chem 34: 1209-21 (1991)


BindingDB Entry DOI: 10.7270/Q23X85M1
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 |c:6|
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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Roche Research Center

Curated by ChEMBL


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


J Med Chem 34: 1209-21 (1991)


BindingDB Entry DOI: 10.7270/Q23X85M1
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


J Med Chem 33: 2856-64 (1990)


BindingDB Entry DOI: 10.7270/Q21V5CZJ
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 |c:6|
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


J Med Chem 34: 1209-21 (1991)


BindingDB Entry DOI: 10.7270/Q23X85M1
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 |c:6|
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


J Med Chem 34: 1209-21 (1991)


BindingDB Entry DOI: 10.7270/Q23X85M1
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 |c:6|
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


J Med Chem 34: 1209-21 (1991)


BindingDB Entry DOI: 10.7270/Q23X85M1
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 |c:6|
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


J Med Chem 34: 1209-21 (1991)


BindingDB Entry DOI: 10.7270/Q23X85M1
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


J Med Chem 33: 2856-64 (1990)


BindingDB Entry DOI: 10.7270/Q21V5CZJ
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 |c:6|
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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Roche Research Center

Curated by ChEMBL


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


J Med Chem 34: 1209-21 (1991)


BindingDB Entry DOI: 10.7270/Q23X85M1
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 |c:6|
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


J Med Chem 34: 1209-21 (1991)


BindingDB Entry DOI: 10.7270/Q23X85M1
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 |c:6|
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


J Med Chem 34: 1209-21 (1991)


BindingDB Entry DOI: 10.7270/Q23X85M1
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 |c:6|
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


J Med Chem 34: 1209-21 (1991)


BindingDB Entry DOI: 10.7270/Q23X85M1
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 |c:6|
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


J Med Chem 34: 1209-21 (1991)


BindingDB Entry DOI: 10.7270/Q23X85M1
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 |c:6|
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


J Med Chem 34: 1209-21 (1991)


BindingDB Entry DOI: 10.7270/Q23X85M1
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 |c:6|
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


J Med Chem 34: 1209-21 (1991)


BindingDB Entry DOI: 10.7270/Q23X85M1
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 |c:6|
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


J Med Chem 34: 1209-21 (1991)


BindingDB Entry DOI: 10.7270/Q23X85M1
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 |t:8|
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


J Med Chem 34: 1209-21 (1991)


BindingDB Entry DOI: 10.7270/Q23X85M1
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 |c:6|
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


J Med Chem 34: 1209-21 (1991)


BindingDB Entry DOI: 10.7270/Q23X85M1
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 |t:6|
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


J Med Chem 34: 1209-21 (1991)


BindingDB Entry DOI: 10.7270/Q23X85M1
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 |c:6|
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


J Med Chem 34: 1209-21 (1991)


BindingDB Entry DOI: 10.7270/Q23X85M1
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 |c:6|
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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Roche Research Center

Curated by ChEMBL


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


J Med Chem 34: 1209-21 (1991)


BindingDB Entry DOI: 10.7270/Q23X85M1
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 |t:2|
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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Roche Research Center

Curated by ChEMBL


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


J Med Chem 34: 1209-21 (1991)


BindingDB Entry DOI: 10.7270/Q23X85M1
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 |c:6|
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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Roche Research Center

Curated by ChEMBL


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


J Med Chem 34: 1209-21 (1991)


BindingDB Entry DOI: 10.7270/Q23X85M1
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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Hoffmann-La Roche Inc.

Curated by ChEMBL


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


J Med Chem 33: 2856-64 (1990)


BindingDB Entry DOI: 10.7270/Q21V5CZJ
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 |c:6|
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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Roche Research Center

Curated by ChEMBL


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


J Med Chem 34: 1209-21 (1991)


BindingDB Entry DOI: 10.7270/Q23X85M1
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50011609
PNG
(7-Chloro-1-{3-[4-(2-chloro-phenyl)-9-methyl-6H-1-t...)
Show SMILES Cc1nnc2CN=C(c3cc(sc3-n12)C#CCN1C(=O)CCc2ccc(Cl)cc12)c1ccccc1Cl |c:6|
Show InChI InChI=1S/C27H19Cl2N5OS/c1-16-31-32-24-15-30-26(20-6-2-3-7-22(20)29)21-14-19(36-27(21)34(16)24)5-4-12-33-23-13-18(28)10-8-17(23)9-11-25(33)35/h2-3,6-8,10,13-14H,9,11-12,15H2,1H3
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Roche Research Center

Curated by ChEMBL


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


J Med Chem 34: 1209-21 (1991)


BindingDB Entry DOI: 10.7270/Q23X85M1
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50011607
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)C(=O)c2ccccc12)c1ccccc1Cl |c:6|
Show InChI InChI=1S/C26H16ClN5O2S/c1-15-29-30-22-14-28-23(17-8-2-4-10-20(17)27)19-13-16(35-26(19)32(15)22)7-6-12-31-21-11-5-3-9-18(21)24(33)25(31)34/h2-5,8-11,13H,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


J Med Chem 34: 1209-21 (1991)


BindingDB Entry DOI: 10.7270/Q23X85M1
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50011605
PNG
(4-(2-Chloro-phenyl)-9-methyl-2-[3-(1,2,3,4-tetrahy...)
Show SMILES Cc1nnc2CN=C(c3cc(sc3-n12)C#CCn1c2CCCCc2c2ccccc12)c1ccccc1Cl |c:6|
Show InChI InChI=1S/C30H24ClN5S/c1-19-33-34-28-18-32-29(23-12-2-5-13-25(23)31)24-17-20(37-30(24)36(19)28)9-8-16-35-26-14-6-3-10-21(26)22-11-4-7-15-27(22)35/h2-3,5-6,10,12-14,17H,4,7,11,15-16,18H2,1H3
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Roche Research Center

Curated by ChEMBL


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


J Med Chem 34: 1209-21 (1991)


BindingDB Entry DOI: 10.7270/Q23X85M1
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50013925
PNG
(3-(1-Butyl-6-methoxy-naphthalen-2-yl)-N-(1-methyl-...)
Show SMILES CCCCc1c(\C=C\C(=O)N[C@@H](C)CCCc2cccnc2)ccc2cc(OC)ccc12
Show InChI InChI=1S/C28H34N2O2/c1-4-5-11-26-23(12-13-24-19-25(32-3)15-16-27(24)26)14-17-28(31)30-21(2)8-6-9-22-10-7-18-29-20-22/h7,10,12-21H,4-6,8-9,11H2,1-3H3,(H,30,31)/b17-14+/t21-/m0/s1
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Hoffmann-La Roche Inc.

Curated by ChEMBL


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


J Med Chem 33: 2856-64 (1990)


BindingDB Entry DOI: 10.7270/Q21V5CZJ
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50011626
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)CSc2ccccc12 |t:6|
Show InChI InChI=1S/C28H20FN5OS/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


J Med Chem 34: 1209-21 (1991)


BindingDB Entry DOI: 10.7270/Q23X85M1
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50329198
PNG
(2-(ethyl((5-(6-methyl-3-(1H-pyrazol-4-yl)imidazo[1...)
Show SMILES CCN(Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1)C(C)(C)CO
Show InChI InChI=1S/C20H26N8OS/c1-5-27(20(3,4)12-29)11-15-6-17(30-26-15)25-18-19-21-9-16(14-7-22-23-8-14)28(19)10-13(2)24-18/h6-10,29H,5,11-12H2,1-4H3,(H,22,23)(H,24,25)
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n/an/a 8n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of IRK4


Bioorg Med Chem Lett 20: 6739-43 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.140
BindingDB Entry DOI: 10.7270/Q2K074HX
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50011613
PNG
(1-{3-[4-(2-Chloro-phenyl)-9-methyl-6H-1-thia-5,7,8...)
Show SMILES Cc1nnc2CN=C(c3cc(sc3-n12)C#CCn1c2ccccc2[nH]c1=O)c1ccccc1Cl |c:6|
Show InChI InChI=1S/C25H17ClN6OS/c1-15-29-30-22-14-27-23(17-8-2-3-9-19(17)26)18-13-16(34-24(18)32(15)22)7-6-12-31-21-11-5-4-10-20(21)28-25(31)33/h2-5,8-11,13H,12,14H2,1H3,(H,28,33)
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Roche Research Center

Curated by ChEMBL


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


J Med Chem 34: 1209-21 (1991)


BindingDB Entry DOI: 10.7270/Q23X85M1
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50011651
PNG
(6,8-Dichloro-1-{3-[4-(2-chloro-phenyl)-9-methyl-6H...)
Show SMILES Cc1nnc2CN=C(c3cc(sc3-n12)C#CCN1C(=O)CCc2cc(Cl)cc(Cl)c12)c1ccccc1Cl |c:6|
Show InChI InChI=1S/C27H18Cl3N5OS/c1-15-32-33-23-14-31-25(19-6-2-3-7-21(19)29)20-13-18(37-27(20)35(15)23)5-4-10-34-24(36)9-8-16-11-17(28)12-22(30)26(16)34/h2-3,6-7,11-13H,8-10,14H2,1H3
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Roche Research Center

Curated by ChEMBL


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


J Med Chem 34: 1209-21 (1991)


BindingDB Entry DOI: 10.7270/Q23X85M1
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (Human))
BDBM50329197
PNG
(3-((R)-1-((2S,6R)-2,6-dimethylmorpholino)ethyl)-N-...)
Show SMILES C[C@@H](N1C[C@H](C)O[C@H](C)C1)c1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1 |r|
Show InChI InChI=1S/C21H26N8OS/c1-12-9-29-18(16-6-23-24-7-16)8-22-21(29)20(25-12)26-19-5-17(27-31-19)15(4)28-10-13(2)30-14(3)11-28/h5-9,13-15H,10-11H2,1-4H3,(H,23,24)(H,25,26)/t13-,14+,15-/m1/s1
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n/an/a>10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of IKK-beta


Bioorg Med Chem Lett 20: 6739-43 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.140
BindingDB Entry DOI: 10.7270/Q2K074HX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50329197
PNG
(3-((R)-1-((2S,6R)-2,6-dimethylmorpholino)ethyl)-N-...)
Show SMILES C[C@@H](N1C[C@H](C)O[C@H](C)C1)c1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1 |r|
Show InChI InChI=1S/C21H26N8OS/c1-12-9-29-18(16-6-23-24-7-16)8-22-21(29)20(25-12)26-19-5-17(27-31-19)15(4)28-10-13(2)30-14(3)11-28/h5-9,13-15H,10-11H2,1-4H3,(H,23,24)(H,25,26)/t13-,14+,15-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of JAK2


Bioorg Med Chem Lett 20: 6739-43 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.140
BindingDB Entry DOI: 10.7270/Q2K074HX
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50329197
PNG
(3-((R)-1-((2S,6R)-2,6-dimethylmorpholino)ethyl)-N-...)
Show SMILES C[C@@H](N1C[C@H](C)O[C@H](C)C1)c1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1 |r|
Show InChI InChI=1S/C21H26N8OS/c1-12-9-29-18(16-6-23-24-7-16)8-22-21(29)20(25-12)26-19-5-17(27-31-19)15(4)28-10-13(2)30-14(3)11-28/h5-9,13-15H,10-11H2,1-4H3,(H,23,24)(H,25,26)/t13-,14+,15-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cMET


Bioorg Med Chem Lett 20: 6739-43 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.140
BindingDB Entry DOI: 10.7270/Q2K074HX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK3


(Homo sapiens (Human))
BDBM50329197
PNG
(3-((R)-1-((2S,6R)-2,6-dimethylmorpholino)ethyl)-N-...)
Show SMILES C[C@@H](N1C[C@H](C)O[C@H](C)C1)c1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1 |r|
Show InChI InChI=1S/C21H26N8OS/c1-12-9-29-18(16-6-23-24-7-16)8-22-21(29)20(25-12)26-19-5-17(27-31-19)15(4)28-10-13(2)30-14(3)11-28/h5-9,13-15H,10-11H2,1-4H3,(H,23,24)(H,25,26)/t13-,14+,15-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PLK3


Bioorg Med Chem Lett 20: 6739-43 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.140
BindingDB Entry DOI: 10.7270/Q2K074HX
More data for this
Ligand-Target Pair
Testis-specific serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50329197
PNG
(3-((R)-1-((2S,6R)-2,6-dimethylmorpholino)ethyl)-N-...)
Show SMILES C[C@@H](N1C[C@H](C)O[C@H](C)C1)c1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1 |r|
Show InChI InChI=1S/C21H26N8OS/c1-12-9-29-18(16-6-23-24-7-16)8-22-21(29)20(25-12)26-19-5-17(27-31-19)15(4)28-10-13(2)30-14(3)11-28/h5-9,13-15H,10-11H2,1-4H3,(H,23,24)(H,25,26)/t13-,14+,15-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TSSK2


Bioorg Med Chem Lett 20: 6739-43 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.140
BindingDB Entry DOI: 10.7270/Q2K074HX
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50011665
PNG
(2-{3-[6-(2-Fluoro-phenyl)-1-methyl-4H-2,3,5,10b-te...)
Show SMILES Cc1nnc2CN=C(c3ccccc3F)c3cc(ccc3-n12)C#CCN1C(=O)c2ccccc2C1=O |t:6|
Show InChI InChI=1S/C28H18FN5O2/c1-17-31-32-25-16-30-26(21-10-4-5-11-23(21)29)22-15-18(12-13-24(22)34(17)25)7-6-14-33-27(35)19-8-2-3-9-20(19)28(33)36/h2-5,8-13,15H,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


J Med Chem 34: 1209-21 (1991)


BindingDB Entry DOI: 10.7270/Q23X85M1
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50329197
PNG
(3-((R)-1-((2S,6R)-2,6-dimethylmorpholino)ethyl)-N-...)
Show SMILES C[C@@H](N1C[C@H](C)O[C@H](C)C1)c1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1 |r|
Show InChI InChI=1S/C21H26N8OS/c1-12-9-29-18(16-6-23-24-7-16)8-22-21(29)20(25-12)26-19-5-17(27-31-19)15(4)28-10-13(2)30-14(3)11-28/h5-9,13-15H,10-11H2,1-4H3,(H,23,24)(H,25,26)/t13-,14+,15-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 20: 6739-43 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.140
BindingDB Entry DOI: 10.7270/Q2K074HX
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50329197
PNG
(3-((R)-1-((2S,6R)-2,6-dimethylmorpholino)ethyl)-N-...)
Show SMILES C[C@@H](N1C[C@H](C)O[C@H](C)C1)c1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1 |r|
Show InChI InChI=1S/C21H26N8OS/c1-12-9-29-18(16-6-23-24-7-16)8-22-21(29)20(25-12)26-19-5-17(27-31-19)15(4)28-10-13(2)30-14(3)11-28/h5-9,13-15H,10-11H2,1-4H3,(H,23,24)(H,25,26)/t13-,14+,15-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PKCalpha


Bioorg Med Chem Lett 20: 6739-43 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.140
BindingDB Entry DOI: 10.7270/Q2K074HX
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50329197
PNG
(3-((R)-1-((2S,6R)-2,6-dimethylmorpholino)ethyl)-N-...)
Show SMILES C[C@@H](N1C[C@H](C)O[C@H](C)C1)c1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1 |r|
Show InChI InChI=1S/C21H26N8OS/c1-12-9-29-18(16-6-23-24-7-16)8-22-21(29)20(25-12)26-19-5-17(27-31-19)15(4)28-10-13(2)30-14(3)11-28/h5-9,13-15H,10-11H2,1-4H3,(H,23,24)(H,25,26)/t13-,14+,15-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Bioorg Med Chem Lett 20: 6739-43 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.140
BindingDB Entry DOI: 10.7270/Q2K074HX
More data for this
Ligand-Target Pair
CaM kinase IV


(Homo sapiens (Human))
BDBM50329197
PNG
(3-((R)-1-((2S,6R)-2,6-dimethylmorpholino)ethyl)-N-...)
Show SMILES C[C@@H](N1C[C@H](C)O[C@H](C)C1)c1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1 |r|
Show InChI InChI=1S/C21H26N8OS/c1-12-9-29-18(16-6-23-24-7-16)8-22-21(29)20(25-12)26-19-5-17(27-31-19)15(4)28-10-13(2)30-14(3)11-28/h5-9,13-15H,10-11H2,1-4H3,(H,23,24)(H,25,26)/t13-,14+,15-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Camk4


Bioorg Med Chem Lett 20: 6739-43 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.140
BindingDB Entry DOI: 10.7270/Q2K074HX
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50329197
PNG
(3-((R)-1-((2S,6R)-2,6-dimethylmorpholino)ethyl)-N-...)
Show SMILES C[C@@H](N1C[C@H](C)O[C@H](C)C1)c1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1 |r|
Show InChI InChI=1S/C21H26N8OS/c1-12-9-29-18(16-6-23-24-7-16)8-22-21(29)20(25-12)26-19-5-17(27-31-19)15(4)28-10-13(2)30-14(3)11-28/h5-9,13-15H,10-11H2,1-4H3,(H,23,24)(H,25,26)/t13-,14+,15-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 6739-43 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.140
BindingDB Entry DOI: 10.7270/Q2K074HX
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50329197
PNG
(3-((R)-1-((2S,6R)-2,6-dimethylmorpholino)ethyl)-N-...)
Show SMILES C[C@@H](N1C[C@H](C)O[C@H](C)C1)c1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1 |r|
Show InChI InChI=1S/C21H26N8OS/c1-12-9-29-18(16-6-23-24-7-16)8-22-21(29)20(25-12)26-19-5-17(27-31-19)15(4)28-10-13(2)30-14(3)11-28/h5-9,13-15H,10-11H2,1-4H3,(H,23,24)(H,25,26)/t13-,14+,15-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CSNK1d


Bioorg Med Chem Lett 20: 6739-43 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.140
BindingDB Entry DOI: 10.7270/Q2K074HX
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50329197
PNG
(3-((R)-1-((2S,6R)-2,6-dimethylmorpholino)ethyl)-N-...)
Show SMILES C[C@@H](N1C[C@H](C)O[C@H](C)C1)c1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1 |r|
Show InChI InChI=1S/C21H26N8OS/c1-12-9-29-18(16-6-23-24-7-16)8-22-21(29)20(25-12)26-19-5-17(27-31-19)15(4)28-10-13(2)30-14(3)11-28/h5-9,13-15H,10-11H2,1-4H3,(H,23,24)(H,25,26)/t13-,14+,15-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 20: 6739-43 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.140
BindingDB Entry DOI: 10.7270/Q2K074HX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50329197
PNG
(3-((R)-1-((2S,6R)-2,6-dimethylmorpholino)ethyl)-N-...)
Show SMILES C[C@@H](N1C[C@H](C)O[C@H](C)C1)c1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1 |r|
Show InChI InChI=1S/C21H26N8OS/c1-12-9-29-18(16-6-23-24-7-16)8-22-21(29)20(25-12)26-19-5-17(27-31-19)15(4)28-10-13(2)30-14(3)11-28/h5-9,13-15H,10-11H2,1-4H3,(H,23,24)(H,25,26)/t13-,14+,15-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ERK2


Bioorg Med Chem Lett 20: 6739-43 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.140
BindingDB Entry DOI: 10.7270/Q2K074HX
More data for this
Ligand-Target Pair
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