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Compile Data Set for Download or QSAR

Found 617 hits with Last Name = 'wright' and Initial = 'ad'   
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
Monocarboxylate Transporter 1


(Homo sapiens (Human))
BDBM21995
PNG
(5-{[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]carbonyl}-3...)
Show SMILES CC(C)Cn1c2sc(Cc3ccccc3C(F)(F)F)c(C(=O)N3C[C@H](O)CO3)c2c(=O)n(C)c1=O |r|
Show InChI InChI=1S/C23H24F3N3O5S/c1-12(2)9-28-21-18(19(31)27(3)22(28)33)17(20(32)29-10-14(30)11-34-29)16(35-21)8-13-6-4-5-7-15(13)23(24,25)26/h4-7,12,14,30H,8-11H2,1-3H3/t14-/m0/s1
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0.0900 -56.8n/an/an/an/an/a7.822



AstraZeneca



Assay Description
Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...


J Med Chem 50: 254-63 (2007)


Article DOI: 10.1021/jm060995h
BindingDB Entry DOI: 10.7270/Q2GT5KGF
More data for this
Ligand-Target Pair
Monocarboxylate Transporter 1


(Homo sapiens (Human))
BDBM21992
PNG
(5-{[(3R)-3-hydroxypyrrolidin-1-yl]carbonyl}-3-meth...)
Show SMILES CC(C)Cn1c2sc(Oc3cccc4ccccc34)c(C(=O)N3CC[C@@H](O)C3)c2c(=O)n(C)c1=O |r|
Show InChI InChI=1S/C26H27N3O5S/c1-15(2)13-29-24-20(22(31)27(3)26(29)33)21(23(32)28-12-11-17(30)14-28)25(35-24)34-19-10-6-8-16-7-4-5-9-18(16)19/h4-10,15,17,30H,11-14H2,1-3H3/t17-/m1/s1
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0.310 -53.7n/an/an/an/an/a7.822



AstraZeneca



Assay Description
Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...


J Med Chem 50: 254-63 (2007)


Article DOI: 10.1021/jm060995h
BindingDB Entry DOI: 10.7270/Q2GT5KGF
More data for this
Ligand-Target Pair
Monocarboxylate Transporter 1


(Homo sapiens (Human))
BDBM21996
PNG
(5-{[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]carbonyl}-3...)
Show SMILES CC(C)Cn1c2sc(Cc3c[nH]c4ncccc34)c(C(=O)N3C[C@H](O)CO3)c2c(=O)n(C)c1=O |r|
Show InChI InChI=1S/C23H25N5O5S/c1-12(2)9-27-22-18(20(30)26(3)23(27)32)17(21(31)28-10-14(29)11-33-28)16(34-22)7-13-8-25-19-15(13)5-4-6-24-19/h4-6,8,12,14,29H,7,9-11H2,1-3H3,(H,24,25)/t14-/m0/s1
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0.430 -52.9n/an/an/an/an/a7.822



AstraZeneca



Assay Description
Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...


J Med Chem 50: 254-63 (2007)


Article DOI: 10.1021/jm060995h
BindingDB Entry DOI: 10.7270/Q2GT5KGF
More data for this
Ligand-Target Pair
Monocarboxylate Transporter 1


(Homo sapiens (Human))
BDBM21994
PNG
(5-{[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]carbonyl}-3...)
Show SMILES CC(C)Cn1c2sc(Cc3ccnc4ccccc34)c(C(=O)N3C[C@H](O)CO3)c2c(=O)n(C)c1=O |r|
Show InChI InChI=1S/C25H26N4O5S/c1-14(2)11-28-24-21(22(31)27(3)25(28)33)20(23(32)29-12-16(30)13-34-29)19(35-24)10-15-8-9-26-18-7-5-4-6-17(15)18/h4-9,14,16,30H,10-13H2,1-3H3/t16-/m0/s1
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0.520 -52.5n/an/an/an/an/a7.822



AstraZeneca



Assay Description
Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...


J Med Chem 50: 254-63 (2007)


Article DOI: 10.1021/jm060995h
BindingDB Entry DOI: 10.7270/Q2GT5KGF
More data for this
Ligand-Target Pair
Monocarboxylate Transporter 1


(Homo sapiens (Human))
BDBM21987
PNG
(6-[(6-fluoroquinolin-4-yl)methyl]-5-{[(3R)-3-hydro...)
Show SMILES CC(C)Cn1c2sc(Cc3ccnc4ccc(F)cc34)c(C(=O)N3CC[C@@H](O)C3)c2c(=O)n(C)c1=O |r|
Show InChI InChI=1S/C26H27FN4O4S/c1-14(2)12-31-25-22(23(33)29(3)26(31)35)21(24(34)30-9-7-17(32)13-30)20(36-25)10-15-6-8-28-19-5-4-16(27)11-18(15)19/h4-6,8,11,14,17,32H,7,9-10,12-13H2,1-3H3/t17-/m1/s1
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0.810 -51.4n/an/an/an/an/a7.822



AstraZeneca



Assay Description
Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...


J Med Chem 50: 254-63 (2007)


Article DOI: 10.1021/jm060995h
BindingDB Entry DOI: 10.7270/Q2GT5KGF
More data for this
Ligand-Target Pair
Monocarboxylate Transporter 1


(Homo sapiens (Human))
BDBM21998
PNG
(6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-{[(4S)-...)
Show SMILES CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(C(=O)N3C[C@H](O)CO3)c2c(=O)n(C)c1=O |r|
Show InChI InChI=1S/C21H27N5O5S/c1-10(2)7-25-20-17(18(28)24(5)21(25)30)16(19(29)26-8-13(27)9-31-26)15(32-20)6-14-11(3)22-23-12(14)4/h10,13,27H,6-9H2,1-5H3,(H,22,23)/t13-/m0/s1
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1.20 -50.4n/an/an/an/an/a7.822



AstraZeneca



Assay Description
Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...


J Med Chem 50: 254-63 (2007)


Article DOI: 10.1021/jm060995h
BindingDB Entry DOI: 10.7270/Q2GT5KGF
More data for this
Ligand-Target Pair
Monocarboxylate Transporter 1


(Homo sapiens (Human))
BDBM21997
PNG
(5-{[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]carbonyl}-3...)
Show SMILES CNc1nc2ccccc2n1Cc1sc2n(CC(C)C)c(=O)n(C)c(=O)c2c1C(=O)N1C[C@H](O)CO1 |r|
Show InChI InChI=1S/C24H28N6O5S/c1-13(2)9-29-22-19(20(32)27(4)24(29)34)18(21(33)30-10-14(31)12-35-30)17(36-22)11-28-16-8-6-5-7-15(16)26-23(28)25-3/h5-8,13-14,31H,9-12H2,1-4H3,(H,25,26)/t14-/m0/s1
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1.70 -49.6n/an/an/an/an/a7.822



AstraZeneca



Assay Description
Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...


J Med Chem 50: 254-63 (2007)


Article DOI: 10.1021/jm060995h
BindingDB Entry DOI: 10.7270/Q2GT5KGF
More data for this
Ligand-Target Pair
Monocarboxylate Transporter 1


(Homo sapiens (Human))
BDBM21993
PNG
(6-[(4,5-dichloro-2-methyl-1H-imidazol-1-yl)methyl]...)
Show SMILES CON(C)C(=O)c1c(Cn2c(C)nc(Cl)c2Cl)sc2n(CC(C)C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C19H23Cl2N5O4S/c1-9(2)7-26-18-13(16(27)23(4)19(26)29)12(17(28)24(5)30-6)11(31-18)8-25-10(3)22-14(20)15(25)21/h9H,7-8H2,1-6H3
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3.20 -48.0n/an/an/an/an/a7.822



AstraZeneca



Assay Description
Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...


J Med Chem 50: 254-63 (2007)


Article DOI: 10.1021/jm060995h
BindingDB Entry DOI: 10.7270/Q2GT5KGF
More data for this
Ligand-Target Pair
Monocarboxylate Transporter 1


(Homo sapiens (Human))
BDBM21985
PNG
(5-{[(3R)-3-hydroxypyrrolidin-1-yl]carbonyl}-3-meth...)
Show SMILES CC(C)Cn1c2sc(Cc3ccnc4ccccc34)c(C(=O)N3CC[C@@H](O)C3)c2c(=O)n(C)c1=O |r|
Show InChI InChI=1S/C26H28N4O4S/c1-15(2)13-30-25-22(23(32)28(3)26(30)34)21(24(33)29-11-9-17(31)14-29)20(35-25)12-16-8-10-27-19-7-5-4-6-18(16)19/h4-8,10,15,17,31H,9,11-14H2,1-3H3/t17-/m1/s1
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4.80 -47.0n/an/an/an/an/a7.822



AstraZeneca



Assay Description
Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...


J Med Chem 50: 254-63 (2007)


Article DOI: 10.1021/jm060995h
BindingDB Entry DOI: 10.7270/Q2GT5KGF
More data for this
Ligand-Target Pair
Monocarboxylate Transporter 1


(Homo sapiens (Human))
BDBM21991
PNG
(5-{[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]carbonyl}...)
Show SMILES CC(C)Cn1c2sc(Cc3ccnc4ccccc34)c(C(=O)N3C[C@H](O)[C@H](O)C3)c2c(=O)n(C)c1=O |r|
Show InChI InChI=1S/C26H28N4O5S/c1-14(2)11-30-25-22(23(33)28(3)26(30)35)21(24(34)29-12-18(31)19(32)13-29)20(36-25)10-15-8-9-27-17-7-5-4-6-16(15)17/h4-9,14,18-19,31-32H,10-13H2,1-3H3/t18-,19+
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29 -42.6n/an/an/an/an/a7.822



AstraZeneca



Assay Description
Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...


J Med Chem 50: 254-63 (2007)


Article DOI: 10.1021/jm060995h
BindingDB Entry DOI: 10.7270/Q2GT5KGF
More data for this
Ligand-Target Pair
Monocarboxylate Transporter 1


(Homo sapiens (Human))
BDBM21990
PNG
(5-(azetidin-1-ylcarbonyl)-3-methyl-6-{[2-(methylam...)
Show SMILES CNc1nc2ccccc2n1Cc1sc2n(CC(C)C)c(=O)n(C)c(=O)c2c1C(=O)N1CCC1
Show InChI InChI=1S/C24H28N6O3S/c1-14(2)12-30-22-19(20(31)27(4)24(30)33)18(21(32)28-10-7-11-28)17(34-22)13-29-16-9-6-5-8-15(16)26-23(29)25-3/h5-6,8-9,14H,7,10-13H2,1-4H3,(H,25,26)
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59 -40.8n/an/an/an/an/a7.822



AstraZeneca



Assay Description
Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...


J Med Chem 50: 254-63 (2007)


Article DOI: 10.1021/jm060995h
BindingDB Entry DOI: 10.7270/Q2GT5KGF
More data for this
Ligand-Target Pair
Monocarboxylate Transporter 1


(Homo sapiens (Human))
BDBM21988
PNG
(N,N,3-trimethyl-2,4-dioxo-1-(propan-2-yl)-6-{[2-(t...)
Show SMILES CC(C)n1c2sc(Cc3ccccc3C(F)(F)F)c(C(=O)N(C)C)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C21H22F3N3O3S/c1-11(2)27-19-16(18(29)26(5)20(27)30)15(17(28)25(3)4)14(31-19)10-12-8-6-7-9-13(12)21(22,23)24/h6-9,11H,10H2,1-5H3
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117 -39.2n/an/an/an/an/a7.822



AstraZeneca



Assay Description
Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...


J Med Chem 50: 254-63 (2007)


Article DOI: 10.1021/jm060995h
BindingDB Entry DOI: 10.7270/Q2GT5KGF
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM22111
PNG
((2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-[(methyl...)
Show SMILES CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1
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150n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor of rat cortical membranes


J Med Chem 47: 2243-55 (2004)


Article DOI: 10.1021/jm031092g
BindingDB Entry DOI: 10.7270/Q2VQ33FT
More data for this
Ligand-Target Pair
Monocarboxylate Transporter 1


(Homo sapiens (Human))
BDBM21989
PNG
(3-{[3-methyl-2,4-dioxo-1-(propan-2-yl)-6-{[2-(trif...)
Show SMILES CC(C)n1c2sc(Cc3ccccc3C(F)(F)F)c(C(=O)N3CCS(=O)(=O)C3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C22H22F3N3O5S2/c1-12(2)28-20-17(18(29)26(3)21(28)31)16(19(30)27-8-9-35(32,33)11-27)15(34-20)10-13-6-4-5-7-14(13)22(23,24)25/h4-7,12H,8-11H2,1-3H3
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>190>-38.0n/an/an/an/an/a7.822



AstraZeneca



Assay Description
Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents ...


J Med Chem 50: 254-63 (2007)


Article DOI: 10.1021/jm060995h
BindingDB Entry DOI: 10.7270/Q2GT5KGF
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM22111
PNG
((2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-[(methyl...)
Show SMILES CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1
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210n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor of rat cortical membranes


J Med Chem 47: 2243-55 (2004)


Article DOI: 10.1021/jm031092g
BindingDB Entry DOI: 10.7270/Q2VQ33FT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM22111
PNG
((2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-[(methyl...)
Show SMILES CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1
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240n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]R-PIA from adenosine A1 receptor of rat cortical membranes


J Med Chem 47: 2243-55 (2004)


Article DOI: 10.1021/jm031092g
BindingDB Entry DOI: 10.7270/Q2VQ33FT
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM22111
PNG
((2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-[(methyl...)
Show SMILES CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1
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680n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 47: 2243-55 (2004)


Article DOI: 10.1021/jm031092g
BindingDB Entry DOI: 10.7270/Q2VQ33FT
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM22111
PNG
((2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-[(methyl...)
Show SMILES CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1
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1.13E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]-MSX-2 from Adenosine A2A receptor of rat striatal membranes


J Med Chem 47: 2243-55 (2004)


Article DOI: 10.1021/jm031092g
BindingDB Entry DOI: 10.7270/Q2VQ33FT
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM22111
PNG
((2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-[(methyl...)
Show SMILES CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1
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1.18E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from Adenosine A2A receptor of rat striatal membranes


J Med Chem 47: 2243-55 (2004)


Article DOI: 10.1021/jm031092g
BindingDB Entry DOI: 10.7270/Q2VQ33FT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50144902
PNG
(3-(4-Hydroxy-phenyl)-2-methoxy-acrylic acid (3S,5R...)
Show SMILES COC(=Cc1ccc(O)cc1)C(=O)O[C@@H]1[C@H](OC(=O)C=Cc2cnc[nH]2)[C@@H](CSC)O[C@H]1n1cnc2c(N)ncnc12 |w:20.21,3.3|
Show InChI InChI=1S/C27H27N7O7S/c1-38-18(9-15-3-6-17(35)7-4-15)27(37)41-23-22(40-20(36)8-5-16-10-29-12-30-16)19(11-42-2)39-26(23)34-14-33-21-24(28)31-13-32-25(21)34/h3-10,12-14,19,22-23,26,35H,11H2,1-2H3,(H,29,30)(H2,28,31,32)/t19-,22-,23-,26-/m1/s1
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3.26E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from Adenosine A1 receptor of rat cortical membranes


J Med Chem 47: 2243-55 (2004)


Article DOI: 10.1021/jm031092g
BindingDB Entry DOI: 10.7270/Q2VQ33FT
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50144902
PNG
(3-(4-Hydroxy-phenyl)-2-methoxy-acrylic acid (3S,5R...)
Show SMILES COC(=Cc1ccc(O)cc1)C(=O)O[C@@H]1[C@H](OC(=O)C=Cc2cnc[nH]2)[C@@H](CSC)O[C@H]1n1cnc2c(N)ncnc12 |w:20.21,3.3|
Show InChI InChI=1S/C27H27N7O7S/c1-38-18(9-15-3-6-17(35)7-4-15)27(37)41-23-22(40-20(36)8-5-16-10-29-12-30-16)19(11-42-2)39-26(23)34-14-33-21-24(28)31-13-32-25(21)34/h3-10,12-14,19,22-23,26,35H,11H2,1-2H3,(H,29,30)(H2,28,31,32)/t19-,22-,23-,26-/m1/s1
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6.94E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 47: 2243-55 (2004)


Article DOI: 10.1021/jm031092g
BindingDB Entry DOI: 10.7270/Q2VQ33FT
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM22111
PNG
((2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-[(methyl...)
Show SMILES CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1
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8.20E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Binding affinity towards human adenosine A2B receptor in VA13 fibroblasts as inhibition of adenylate cyclase at 10 uM; Less than 10% inhibition


J Med Chem 47: 2243-55 (2004)


Article DOI: 10.1021/jm031092g
BindingDB Entry DOI: 10.7270/Q2VQ33FT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50144902
PNG
(3-(4-Hydroxy-phenyl)-2-methoxy-acrylic acid (3S,5R...)
Show SMILES COC(=Cc1ccc(O)cc1)C(=O)O[C@@H]1[C@H](OC(=O)C=Cc2cnc[nH]2)[C@@H](CSC)O[C@H]1n1cnc2c(N)ncnc12 |w:20.21,3.3|
Show InChI InChI=1S/C27H27N7O7S/c1-38-18(9-15-3-6-17(35)7-4-15)27(37)41-23-22(40-20(36)8-5-16-10-29-12-30-16)19(11-42-2)39-26(23)34-14-33-21-24(28)31-13-32-25(21)34/h3-10,12-14,19,22-23,26,35H,11H2,1-2H3,(H,29,30)(H2,28,31,32)/t19-,22-,23-,26-/m1/s1
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9.45E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from rat Adenosine A1 receptor of cortical membranes


J Med Chem 47: 2243-55 (2004)


Article DOI: 10.1021/jm031092g
BindingDB Entry DOI: 10.7270/Q2VQ33FT
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50144902
PNG
(3-(4-Hydroxy-phenyl)-2-methoxy-acrylic acid (3S,5R...)
Show SMILES COC(=Cc1ccc(O)cc1)C(=O)O[C@@H]1[C@H](OC(=O)C=Cc2cnc[nH]2)[C@@H](CSC)O[C@H]1n1cnc2c(N)ncnc12 |w:20.21,3.3|
Show InChI InChI=1S/C27H27N7O7S/c1-38-18(9-15-3-6-17(35)7-4-15)27(37)41-23-22(40-20(36)8-5-16-10-29-12-30-16)19(11-42-2)39-26(23)34-14-33-21-24(28)31-13-32-25(21)34/h3-10,12-14,19,22-23,26,35H,11H2,1-2H3,(H,29,30)(H2,28,31,32)/t19-,22-,23-,26-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-298 from human adenosine A2B receptor expressed in HEK293 cells at 10 uM


J Med Chem 47: 2243-55 (2004)


Article DOI: 10.1021/jm031092g
BindingDB Entry DOI: 10.7270/Q2VQ33FT
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM22111
PNG
((2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-[(methyl...)
Show SMILES CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1
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1.39E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-298 from human adenosine A2B receptor expressed in HEK293 cells at 10 uM; Less than 10% inhibition


J Med Chem 47: 2243-55 (2004)


Article DOI: 10.1021/jm031092g
BindingDB Entry DOI: 10.7270/Q2VQ33FT
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50144902
PNG
(3-(4-Hydroxy-phenyl)-2-methoxy-acrylic acid (3S,5R...)
Show SMILES COC(=Cc1ccc(O)cc1)C(=O)O[C@@H]1[C@H](OC(=O)C=Cc2cnc[nH]2)[C@@H](CSC)O[C@H]1n1cnc2c(N)ncnc12 |w:20.21,3.3|
Show InChI InChI=1S/C27H27N7O7S/c1-38-18(9-15-3-6-17(35)7-4-15)27(37)41-23-22(40-20(36)8-5-16-10-29-12-30-16)19(11-42-2)39-26(23)34-14-33-21-24(28)31-13-32-25(21)34/h3-10,12-14,19,22-23,26,35H,11H2,1-2H3,(H,29,30)(H2,28,31,32)/t19-,22-,23-,26-/m1/s1
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1.71E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]-MSX-2 from Adenosine A2A receptor of rat striatal membranes


J Med Chem 47: 2243-55 (2004)


Article DOI: 10.1021/jm031092g
BindingDB Entry DOI: 10.7270/Q2VQ33FT
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50277149
PNG
((S)-2-amino-3-(3-fluoro-4-(octyloxy)phenylamino)-2...)
Show SMILES CCCCCCCCOc1ccc(NC(=O)[C@@](C)(N)COP(O)(O)=O)cc1F |r|
Show InChI InChI=1S/C18H30FN2O6P/c1-3-4-5-6-7-8-11-26-16-10-9-14(12-15(16)19)21-17(22)18(2,20)13-27-28(23,24)25/h9-10,12H,3-8,11,13,20H2,1-2H3,(H,21,22)(H2,23,24,25)/t18-/m0/s1
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n/an/a 0.140n/an/an/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor


Bioorg Med Chem Lett 19: 369-72 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.072
BindingDB Entry DOI: 10.7270/Q2H70FNK
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50249294
PNG
((R)-2-amino-2-(4-(4-(5-phenylpentyloxy)phenyl)-1H-...)
Show SMILES C[C@](N)(COP(O)(O)=O)c1nc(c[nH]1)-c1ccc(OCCCCCc2ccccc2)cc1 |r|
Show InChI InChI=1S/C23H30N3O5P/c1-23(24,17-31-32(27,28)29)22-25-16-21(26-22)19-11-13-20(14-12-19)30-15-7-3-6-10-18-8-4-2-5-9-18/h2,4-5,8-9,11-14,16H,3,6-7,10,15,17,24H2,1H3,(H,25,26)(H2,27,28,29)/t23-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor


Bioorg Med Chem Lett 19: 2315-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.073
BindingDB Entry DOI: 10.7270/Q2XD11KJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM104202
PNG
(US8575145, 79)
Show SMILES FC1(COc2cccc3ccc(nc23)-c2nnc3ccc(cn23)C2CC2)CCNCC1
Show InChI InChI=1S/C24H24FN5O/c25-24(10-12-26-13-11-24)15-31-20-3-1-2-17-6-8-19(27-22(17)20)23-29-28-21-9-7-18(14-30(21)23)16-4-5-16/h1-3,6-9,14,16,26H,4-5,10-13,15H2
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n/an/a 0.200n/an/an/an/a7.422



Array BioPharma Inc.

US Patent


Assay Description
The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled pe...


US Patent US8575145 (2013)


BindingDB Entry DOI: 10.7270/Q2M90797
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50249114
PNG
((S)-2-amino-2-methyl-3-oxo-3-(4-(5-phenylpentyloxy...)
Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCCCCc2ccccc2)cc1 |r|
Show InChI InChI=1S/C21H29N2O6P/c1-21(22,16-29-30(25,26)27)20(24)23-18-11-13-19(14-12-18)28-15-7-3-6-10-17-8-4-2-5-9-17/h2,4-5,8-9,11-14H,3,6-7,10,15-16,22H2,1H3,(H,23,24)(H2,25,26,27)/t21-/m0/s1
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n/an/a 0.210n/an/an/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor


Bioorg Med Chem Lett 19: 2315-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.073
BindingDB Entry DOI: 10.7270/Q2XD11KJ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50277186
PNG
((R)-2-amino-2-(4-(4-(octyloxy)phenyl)-1H-imidazol-...)
Show SMILES CCCCCCCCOc1ccc(cc1)-c1c[nH]c(n1)[C@@](C)(N)COP(O)(O)=O |r|
Show InChI InChI=1S/C20H32N3O5P/c1-3-4-5-6-7-8-13-27-17-11-9-16(10-12-17)18-14-22-19(23-18)20(2,21)15-28-29(24,25)26/h9-12,14H,3-8,13,15,21H2,1-2H3,(H,22,23)(H2,24,25,26)/t20-/m0/s1
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n/an/a 0.260n/an/an/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor


Bioorg Med Chem Lett 19: 369-72 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.072
BindingDB Entry DOI: 10.7270/Q2H70FNK
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50277187
PNG
((R)-2-amino-2-(4-(3-fluoro-4-(octyloxy)phenyl)-1H-...)
Show SMILES CCCCCCCCOc1ccc(cc1F)-c1c[nH]c(n1)[C@@](C)(N)COP(O)(O)=O |r|
Show InChI InChI=1S/C20H31FN3O5P/c1-3-4-5-6-7-8-11-28-18-10-9-15(12-16(18)21)17-13-23-19(24-17)20(2,22)14-29-30(25,26)27/h9-10,12-13H,3-8,11,14,22H2,1-2H3,(H,23,24)(H2,25,26,27)/t20-/m0/s1
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n/an/a 0.350n/an/an/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor


Bioorg Med Chem Lett 19: 369-72 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.072
BindingDB Entry DOI: 10.7270/Q2H70FNK
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50277185
PNG
((S)-2-amino-3-(2-fluoro-4-(octyloxy)phenylamino)-2...)
Show SMILES CCCCCCCCOc1ccc(NC(=O)[C@@](C)(N)COP(O)(O)=O)c(F)c1 |r|
Show InChI InChI=1S/C18H30FN2O6P/c1-3-4-5-6-7-8-11-26-14-9-10-16(15(19)12-14)21-17(22)18(2,20)13-27-28(23,24)25/h9-10,12H,3-8,11,13,20H2,1-2H3,(H,21,22)(H2,23,24,25)/t18-/m0/s1
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n/an/a 0.350n/an/an/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor


Bioorg Med Chem Lett 19: 369-72 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.072
BindingDB Entry DOI: 10.7270/Q2H70FNK
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50249114
PNG
((S)-2-amino-2-methyl-3-oxo-3-(4-(5-phenylpentyloxy...)
Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCCCCc2ccccc2)cc1 |r|
Show InChI InChI=1S/C21H29N2O6P/c1-21(22,16-29-30(25,26)27)20(24)23-18-11-13-19(14-12-18)28-15-7-3-6-10-17-8-4-2-5-9-17/h2,4-5,8-9,11-14H,3,6-7,10,15-16,22H2,1H3,(H,23,24)(H2,25,26,27)/t21-/m0/s1
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n/an/a 0.360n/an/an/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine-1-phosphate from human S1P3 receptor


Bioorg Med Chem Lett 19: 2315-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.073
BindingDB Entry DOI: 10.7270/Q2XD11KJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM104213
PNG
(US8575145, 120 | US8575145, 121 | US8575145, 150 |...)
Show SMILES FC1CCNCCC1Oc1cc(F)cc2ccc(nc12)-c1nnc2ccccn12
Show InChI InChI=1S/C21H19F2N5O/c22-14-11-13-4-5-16(21-27-26-19-3-1-2-10-28(19)21)25-20(13)18(12-14)29-17-7-9-24-8-6-15(17)23/h1-5,10-12,15,17,24H,6-9H2
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n/an/a 0.400n/an/an/an/a7.422



Array BioPharma Inc.

US Patent


Assay Description
The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled pe...


US Patent US8575145 (2013)


BindingDB Entry DOI: 10.7270/Q2M90797
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM104204
PNG
(US8575145, 81)
Show SMILES FC1(COc2cccc3ccc(nc23)-c2nnc3ccc(cn23)-c2ccccc2)CCNCC1
Show InChI InChI=1S/C27H24FN5O/c28-27(13-15-29-16-14-27)18-34-23-8-4-7-20-9-11-22(30-25(20)23)26-32-31-24-12-10-21(17-33(24)26)19-5-2-1-3-6-19/h1-12,17,29H,13-16,18H2
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n/an/a 0.450n/an/an/an/a7.422



Array BioPharma Inc.

US Patent


Assay Description
The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled pe...


US Patent US8575145 (2013)


BindingDB Entry DOI: 10.7270/Q2M90797
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50158348
PNG
((2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihy...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(O)=O |r|
Show InChI InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1
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Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor


Bioorg Med Chem Lett 19: 369-72 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.072
BindingDB Entry DOI: 10.7270/Q2H70FNK
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM41535
PNG
(US8575145, 106 | US8575145, 66)
Show SMILES FC1(COc2cccc3ccc(nc23)-c2nnc3ccccn23)CCNCC1
Show InChI InChI=1S/C21H26N6O5/c1-5-31-18-8-7-15(9-19(18)32-6-2)12-25-13-16(10-22-25)24-20(28)21(3,4)26-14-17(11-23-26)27(29)30/h7-11,13-14H,5-6,12H2,1-4H3,(H,24,28)
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Array BioPharma Inc.

US Patent


Assay Description
The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled pe...


US Patent US8575145 (2013)


BindingDB Entry DOI: 10.7270/Q2M90797
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM104229
PNG
(US8575145, 106)
Show SMILES Fc1cc(OCC2(F)CCNCC2)c2nc(ccc2c1)-c1nnc2ccccn12
Show InChI InChI=1S/C21H19F2N5O/c22-15-11-14-4-5-16(20-27-26-18-3-1-2-10-28(18)20)25-19(14)17(12-15)29-13-21(23)6-8-24-9-7-21/h1-5,10-12,24H,6-9,13H2
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Array BioPharma Inc.

US Patent


Assay Description
The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled pe...


US Patent US8575145 (2013)


BindingDB Entry DOI: 10.7270/Q2M90797
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM104162
PNG
(US8575145, 39)
Show SMILES CC(C)(CN)COc1cc(F)cc2ccc(nc12)-c1nnc2ccccn12
Show InChI InChI=1S/C20H20FN5O/c1-20(2,11-22)12-27-16-10-14(21)9-13-6-7-15(23-18(13)16)19-25-24-17-5-3-4-8-26(17)19/h3-10H,11-12,22H2,1-2H3
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Array BioPharma Inc.

US Patent


Assay Description
The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled pe...


US Patent US8575145 (2013)


BindingDB Entry DOI: 10.7270/Q2M90797
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM104187
PNG
(US8575145, 64)
Show SMILES CC(C)(CN)COc1cccc2ccc(nc12)-c1nnc2ccc(cn12)C1CC1
Show InChI InChI=1S/C23H25N5O/c1-23(2,13-24)14-29-19-5-3-4-16-8-10-18(25-21(16)19)22-27-26-20-11-9-17(12-28(20)22)15-6-7-15/h3-5,8-12,15H,6-7,13-14,24H2,1-2H3
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Array BioPharma Inc.

US Patent


Assay Description
The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled pe...


US Patent US8575145 (2013)


BindingDB Entry DOI: 10.7270/Q2M90797
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM104186
PNG
(US8575145, 63)
Show SMILES CC(C)(CN)COc1cccc2ccc(nc12)-c1nnc2ccc(Br)cn12
Show InChI InChI=1S/C20H20BrN5O/c1-20(2,11-22)12-27-16-5-3-4-13-6-8-15(23-18(13)16)19-25-24-17-9-7-14(21)10-26(17)19/h3-10H,11-12,22H2,1-2H3
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Array BioPharma Inc.

US Patent


Assay Description
The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled pe...


US Patent US8575145 (2013)


BindingDB Entry DOI: 10.7270/Q2M90797
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM104140
PNG
(US8575145, 17)
Show SMILES NC1CCC(CC1)Oc1cccc2ccc(nc12)-c1nnc2ccccn12 |(7.59,3.85,;6.26,3.08,;6.26,1.54,;4.93,.77,;3.6,1.54,;3.6,3.08,;4.93,3.85,;2.27,.77,;2.27,-.77,;3.61,-1.54,;3.61,-3.08,;2.27,-3.85,;.94,-3.08,;-.4,-3.85,;-1.73,-3.08,;-1.73,-1.54,;-.4,-.77,;.94,-1.54,;-3.06,-.77,;-3.06,.77,;-4.53,1.25,;-5.43,0,;-6.96,-.16,;-7.59,-1.56,;-6.69,-2.81,;-5.15,-2.65,;-4.53,-1.24,)|
Show InChI InChI=1S/C21H21N5O/c22-15-8-10-16(11-9-15)27-18-5-3-4-14-7-12-17(23-20(14)18)21-25-24-19-6-1-2-13-26(19)21/h1-7,12-13,15-16H,8-11,22H2
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n/an/a 0.650n/an/an/an/a7.422



Array BioPharma Inc.

US Patent


Assay Description
The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled pe...


US Patent US8575145 (2013)


BindingDB Entry DOI: 10.7270/Q2M90797
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50158348
PNG
((2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihy...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(O)=O |r|
Show InChI InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1
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Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine-1-phosphate from human S1P3 receptor


Bioorg Med Chem Lett 19: 369-72 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.072
BindingDB Entry DOI: 10.7270/Q2H70FNK
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM104237
PNG
(US8575145, 114)
Show SMILES COC1(COc2cc(F)cc3ccc(nc23)-c2nnc3ccccn23)CCCNCC1
Show InChI InChI=1S/C23H24FN5O2/c1-30-23(8-4-10-25-11-9-23)15-31-19-14-17(24)13-16-6-7-18(26-21(16)19)22-28-27-20-5-2-3-12-29(20)22/h2-3,5-7,12-14,25H,4,8-11,15H2,1H3
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Array BioPharma Inc.

US Patent


Assay Description
The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled pe...


US Patent US8575145 (2013)


BindingDB Entry DOI: 10.7270/Q2M90797
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM104142
PNG
(US8575145, 19)
Show SMILES CC(C)(CO)COc1cccc2ccc(nc12)-c1nnc2cc(CN)ccn12
Show InChI InChI=1S/C21H23N5O2/c1-21(2,12-27)13-28-17-5-3-4-15-6-7-16(23-19(15)17)20-25-24-18-10-14(11-22)8-9-26(18)20/h3-10,27H,11-13,22H2,1-2H3
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Array BioPharma Inc.

US Patent


Assay Description
The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled pe...


US Patent US8575145 (2013)


BindingDB Entry DOI: 10.7270/Q2M90797
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM104169
PNG
(US8575145, 46/47/48/49/50 | US8575145, 77 | US8575...)
Show SMILES FC1CCNCCC1Oc1cccc2ccc(nc12)-c1nnc2ccccn12
Show InChI InChI=1S/C21H20FN5O/c22-15-9-11-23-12-10-17(15)28-18-5-3-4-14-7-8-16(24-20(14)18)21-26-25-19-6-1-2-13-27(19)21/h1-8,13,15,17,23H,9-12H2
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Array BioPharma Inc.

US Patent


Assay Description
The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled pe...


US Patent US8575145 (2013)


BindingDB Entry DOI: 10.7270/Q2M90797
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM104221
PNG
(US8575145, 98)
Show SMILES FC1CCNCCC1Oc1cccc2ccc(nc12)-c1nnc2ccc(cn12)C1CC1
Show InChI InChI=1S/C24H24FN5O/c25-18-10-12-26-13-11-20(18)31-21-3-1-2-16-6-8-19(27-23(16)21)24-29-28-22-9-7-17(14-30(22)24)15-4-5-15/h1-3,6-9,14-15,18,20,26H,4-5,10-13H2
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Array BioPharma Inc.

US Patent


Assay Description
The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled pe...


US Patent US8575145 (2013)


BindingDB Entry DOI: 10.7270/Q2M90797
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50277148
PNG
((S)-2-amino-2-methyl-3-(4-(octyloxy)phenylamino)-3...)
Show SMILES CCCCCCCCOc1ccc(NC(=O)[C@@](C)(N)COP(O)(O)=O)cc1 |r|
Show InChI InChI=1S/C18H31N2O6P/c1-3-4-5-6-7-8-13-25-16-11-9-15(10-12-16)20-17(21)18(2,19)14-26-27(22,23)24/h9-12H,3-8,13-14,19H2,1-2H3,(H,20,21)(H2,22,23,24)/t18-/m0/s1
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Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor


Bioorg Med Chem Lett 19: 369-72 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.072
BindingDB Entry DOI: 10.7270/Q2H70FNK
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM104193
PNG
(US8575145, 70)
Show SMILES CC(C)C1(COc2cccc3ccc(nc23)-c2nnc3ccccn23)CCNCC1
Show InChI InChI=1S/C24H27N5O/c1-17(2)24(11-13-25-14-12-24)16-30-20-7-5-6-18-9-10-19(26-22(18)20)23-28-27-21-8-3-4-15-29(21)23/h3-10,15,17,25H,11-14,16H2,1-2H3
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Array BioPharma Inc.

US Patent


Assay Description
The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled pe...


US Patent US8575145 (2013)


BindingDB Entry DOI: 10.7270/Q2M90797
More data for this
Ligand-Target Pair
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