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Compile Data Set for Download or QSAR

Found 613 hits with Last Name = 'simmonite' and Initial = 'h'   
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
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM35836
PNG
(pyrimidine-4-carboxamide, 118)
Show SMILES Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1ncc[nH]1
Show InChI InChI=1S/C14H14N6O2/c1-8-2-3-11(22-8)9-6-10(20-14(15)19-9)13(21)18-7-12-16-4-5-17-12/h2-6H,7H2,1H3,(H,16,17)(H,18,21)(H2,15,19,20)
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1n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd



Assay Description
Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...


Bioorg Med Chem 17: 6590-605 (2009)


Article DOI: 10.1016/j.bmc.2009.07.078
BindingDB Entry DOI: 10.7270/Q27M069H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50364234
PNG
(CHEMBL1952279)
Show SMILES CN(Cc1ccccc1)C(=O)N1CC(C1)O[C@H](c1ccc(Cl)cc1)c1cccnc1Cl
Show InChI InChI=1S/C24H23Cl2N3O2/c1-28(14-17-6-3-2-4-7-17)24(30)29-15-20(16-29)31-22(18-9-11-19(25)12-10-18)21-8-5-13-27-23(21)26/h2-13,20,22H,14-16H2,1H3/t22-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor


Bioorg Med Chem Lett 22: 901-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))
BDBM50394065
PNG
(CHEMBL2158626)
Show SMILES CCN(CC)CCOc1cc(c(Cl)cc1Cl)-c1nc(SC)nc2[nH]cc(C#N)c12
Show InChI InChI=1S/C20H21Cl2N5OS/c1-4-27(5-2)6-7-28-16-8-13(14(21)9-15(16)22)18-17-12(10-23)11-24-19(17)26-20(25-18)29-3/h8-9,11H,4-7H2,1-3H3,(H,24,25,26)
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2n/an/an/an/an/an/an/an/a



Vernalis Ltd

Curated by ChEMBL


Assay Description
Inhibition of fluorescently labeled VER51001 binding to full length human HSP90beta after 30 mins by fluorescence polarization assay


Bioorg Med Chem 20: 6770-89 (2012)


Article DOI: 10.1016/j.bmc.2012.08.050
BindingDB Entry DOI: 10.7270/Q2KS6SN4
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM35834
PNG
(pyrimidine-4-carboxamide, 116)
Show SMILES Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1ccc[nH]1
Show InChI InChI=1S/C15H15N5O2/c1-9-4-5-13(22-9)11-7-12(20-15(16)19-11)14(21)18-8-10-3-2-6-17-10/h2-7,17H,8H2,1H3,(H,18,21)(H2,16,19,20)
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2n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd



Assay Description
Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...


Bioorg Med Chem 17: 6590-605 (2009)


Article DOI: 10.1016/j.bmc.2009.07.078
BindingDB Entry DOI: 10.7270/Q27M069H
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))
BDBM50394058
PNG
(CHEMBL2158570)
Show SMILES CCNC(=O)CSc1nc(-c2cc(OC)c(OC)cc2Cl)c2c(c[nH]c2n1)C#N
Show InChI InChI=1S/C19H18ClN5O3S/c1-4-22-15(26)9-29-19-24-17(16-10(7-21)8-23-18(16)25-19)11-5-13(27-2)14(28-3)6-12(11)20/h5-6,8H,4,9H2,1-3H3,(H,22,26)(H,23,24,25)
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2n/an/an/an/an/an/an/an/a



Vernalis Ltd

Curated by ChEMBL


Assay Description
Inhibition of fluorescently labeled VER51001 binding to full length human HSP90beta after 30 mins by fluorescence polarization assay


Bioorg Med Chem 20: 6770-89 (2012)


Article DOI: 10.1016/j.bmc.2012.08.050
BindingDB Entry DOI: 10.7270/Q2KS6SN4
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))
BDBM50394056
PNG
(CHEMBL2158577)
Show SMILES COc1cc(Cl)c(cc1O)-c1nc(SCC(=O)NCCF)nc2[nH]cc(C#N)c12
Show InChI InChI=1S/C18H15ClFN5O3S/c1-28-13-5-11(19)10(4-12(13)26)16-15-9(6-21)7-23-17(15)25-18(24-16)29-8-14(27)22-3-2-20/h4-5,7,26H,2-3,8H2,1H3,(H,22,27)(H,23,24,25)
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2n/an/an/an/an/an/an/an/a



Vernalis Ltd

Curated by ChEMBL


Assay Description
Inhibition of fluorescently labeled VER51001 binding to full length human HSP90beta after 30 mins by fluorescence polarization assay


Bioorg Med Chem 20: 6770-89 (2012)


Article DOI: 10.1016/j.bmc.2012.08.050
BindingDB Entry DOI: 10.7270/Q2KS6SN4
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM35833
PNG
(pyrimidine-4-carboxamide, 115)
Show SMILES Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1cccn1C
Show InChI InChI=1S/C16H17N5O2/c1-10-5-6-14(23-10)12-8-13(20-16(17)19-12)15(22)18-9-11-4-3-7-21(11)2/h3-8H,9H2,1-2H3,(H,18,22)(H2,17,19,20)
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2.5n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd



Assay Description
Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...


Bioorg Med Chem 17: 6590-605 (2009)


Article DOI: 10.1016/j.bmc.2009.07.078
BindingDB Entry DOI: 10.7270/Q27M069H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM35829
PNG
(pyrimidine-4-carboxamide, 111)
Show SMILES Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1cccc(C)n1
Show InChI InChI=1S/C17H17N5O2/c1-10-4-3-5-12(20-10)9-19-16(23)14-8-13(21-17(18)22-14)15-7-6-11(2)24-15/h3-8H,9H2,1-2H3,(H,19,23)(H2,18,21,22)
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2.5n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd



Assay Description
Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...


Bioorg Med Chem 17: 6590-605 (2009)


Article DOI: 10.1016/j.bmc.2009.07.078
BindingDB Entry DOI: 10.7270/Q27M069H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM35784
PNG
(pyrimidine-4-carboxamide, 19 | pyrimidine-4-carbox...)
Show SMILES Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1ccco1
Show InChI InChI=1S/C16H15N5O2/c1-10-4-2-6-18-13(10)9-19-15(22)12-8-11(20-16(17)21-12)14-5-3-7-23-14/h2-8H,9H2,1H3,(H,19,22)(H2,17,20,21)
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2.80n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd



Assay Description
Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...


Bioorg Med Chem 17: 6590-605 (2009)


Article DOI: 10.1016/j.bmc.2009.07.078
BindingDB Entry DOI: 10.7270/Q27M069H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM35784
PNG
(pyrimidine-4-carboxamide, 19 | pyrimidine-4-carbox...)
Show SMILES Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1ccco1
Show InChI InChI=1S/C16H15N5O2/c1-10-4-2-6-18-13(10)9-19-15(22)12-8-11(20-16(17)21-12)14-5-3-7-23-14/h2-8H,9H2,1H3,(H,19,22)(H2,17,20,21)
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2.80n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd



Assay Description
Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...


Bioorg Med Chem 17: 6590-605 (2009)


Article DOI: 10.1016/j.bmc.2009.07.078
BindingDB Entry DOI: 10.7270/Q27M069H
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))
BDBM50394064
PNG
(CHEMBL2158627)
Show SMILES COc1cc(Cl)c(cc1OCCN1CC[C@H](F)C1)-c1nc(SC)nc2[nH]cc(C#N)c12
Show InChI InChI=1S/C21H21ClFN5O2S/c1-29-16-8-15(22)14(7-17(16)30-6-5-28-4-3-13(23)11-28)19-18-12(9-24)10-25-20(18)27-21(26-19)31-2/h7-8,10,13H,3-6,11H2,1-2H3,(H,25,26,27)/t13-/m0/s1
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3n/an/an/an/an/an/an/an/a



Vernalis Ltd

Curated by ChEMBL


Assay Description
Inhibition of fluorescently labeled VER51001 binding to full length human HSP90beta after 30 mins by fluorescence polarization assay


Bioorg Med Chem 20: 6770-89 (2012)


Article DOI: 10.1016/j.bmc.2012.08.050
BindingDB Entry DOI: 10.7270/Q2KS6SN4
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))
BDBM50394059
PNG
(CHEMBL2158569)
Show SMILES COc1cc(Cl)c(cc1O)-c1nc(SCC(=O)NC(C)C)nc2[nH]cc(C#N)c12
Show InChI InChI=1S/C19H18ClN5O3S/c1-9(2)23-15(27)8-29-19-24-17(16-10(6-21)7-22-18(16)25-19)11-4-13(26)14(28-3)5-12(11)20/h4-5,7,9,26H,8H2,1-3H3,(H,23,27)(H,22,24,25)
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3n/an/an/an/an/an/an/an/a



Vernalis Ltd

Curated by ChEMBL


Assay Description
Inhibition of fluorescently labeled VER51001 binding to full length human HSP90beta after 30 mins by fluorescence polarization assay


Bioorg Med Chem 20: 6770-89 (2012)


Article DOI: 10.1016/j.bmc.2012.08.050
BindingDB Entry DOI: 10.7270/Q2KS6SN4
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM35843
PNG
(pyrimidine-4-carboxamide, 28)
Show SMILES Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1ncccc1C
Show InChI InChI=1S/C17H17N5O2/c1-10-4-3-7-19-14(10)9-20-16(23)13-8-12(21-17(18)22-13)15-6-5-11(2)24-15/h3-8H,9H2,1-2H3,(H,20,23)(H2,18,21,22)
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3n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd



Assay Description
Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...


Bioorg Med Chem 17: 6590-605 (2009)


Article DOI: 10.1016/j.bmc.2009.07.078
BindingDB Entry DOI: 10.7270/Q27M069H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM35832
PNG
(pyrimidine-4-carboxamide, 114)
Show SMILES Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1ccc(C)c(C)n1
Show InChI InChI=1S/C18H19N5O2/c1-10-4-6-13(21-12(10)3)9-20-17(24)15-8-14(22-18(19)23-15)16-7-5-11(2)25-16/h4-8H,9H2,1-3H3,(H,20,24)(H2,19,22,23)
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3n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd



Assay Description
Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...


Bioorg Med Chem 17: 6590-605 (2009)


Article DOI: 10.1016/j.bmc.2009.07.078
BindingDB Entry DOI: 10.7270/Q27M069H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM35830
PNG
(pyrimidine-4-carboxamide, 112)
Show SMILES Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1nc(C)ccc1C
Show InChI InChI=1S/C18H19N5O2/c1-10-4-5-11(2)21-15(10)9-20-17(24)14-8-13(22-18(19)23-14)16-7-6-12(3)25-16/h4-8H,9H2,1-3H3,(H,20,24)(H2,19,22,23)
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3n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd



Assay Description
Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...


Bioorg Med Chem 17: 6590-605 (2009)


Article DOI: 10.1016/j.bmc.2009.07.078
BindingDB Entry DOI: 10.7270/Q27M069H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM35837
PNG
(pyrimidine-4-carboxamide, 119)
Show SMILES CCn1ccnc1CNC(=O)c1cc(nc(N)n1)-c1ccc(C)o1
Show InChI InChI=1S/C16H18N6O2/c1-3-22-7-6-18-14(22)9-19-15(23)12-8-11(20-16(17)21-12)13-5-4-10(2)24-13/h4-8H,3,9H2,1-2H3,(H,19,23)(H2,17,20,21)
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3.5n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd



Assay Description
Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...


Bioorg Med Chem 17: 6590-605 (2009)


Article DOI: 10.1016/j.bmc.2009.07.078
BindingDB Entry DOI: 10.7270/Q27M069H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM35786
PNG
(pyrimidine-4-carboxamide, 27)
Show SMILES Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1ccccn1
Show InChI InChI=1S/C16H15N5O2/c1-10-5-6-14(23-10)12-8-13(21-16(17)20-12)15(22)19-9-11-4-2-3-7-18-11/h2-8H,9H2,1H3,(H,19,22)(H2,17,20,21)
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4n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd



Assay Description
Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...


Bioorg Med Chem 17: 6590-605 (2009)


Article DOI: 10.1016/j.bmc.2009.07.078
BindingDB Entry DOI: 10.7270/Q27M069H
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))
BDBM50394066
PNG
(CHEMBL2158625)
Show SMILES CSc1nc(-c2cc(OCCN3CCCC3)c(Cl)cc2Cl)c2c(c[nH]c2n1)C#N
Show InChI InChI=1S/C20H19Cl2N5OS/c1-29-20-25-18(17-12(10-23)11-24-19(17)26-20)13-8-16(15(22)9-14(13)21)28-7-6-27-4-2-3-5-27/h8-9,11H,2-7H2,1H3,(H,24,25,26)
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4n/an/an/an/an/an/an/an/a



Vernalis Ltd

Curated by ChEMBL


Assay Description
Inhibition of fluorescently labeled VER51001 binding to full length human HSP90beta after 30 mins by fluorescence polarization assay


Bioorg Med Chem 20: 6770-89 (2012)


Article DOI: 10.1016/j.bmc.2012.08.050
BindingDB Entry DOI: 10.7270/Q2KS6SN4
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM35785
PNG
(pyrimidine-4-carboxamide, 25)
Show SMILES Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1ccccn1
Show InChI InChI=1S/C15H13N5O2/c16-15-19-11(13-5-3-7-22-13)8-12(20-15)14(21)18-9-10-4-1-2-6-17-10/h1-8H,9H2,(H,18,21)(H2,16,19,20)
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4.30n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd



Assay Description
Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...


Bioorg Med Chem 17: 6590-605 (2009)


Article DOI: 10.1016/j.bmc.2009.07.078
BindingDB Entry DOI: 10.7270/Q27M069H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM35774
PNG
(triazine-4-carboxamide, 6)
Show SMILES Nc1nc(nc(n1)-c1ccco1)C(=O)NCc1ccccc1Cl
Show InChI InChI=1S/C15H12ClN5O2/c16-10-5-2-1-4-9(10)8-18-14(22)13-19-12(20-15(17)21-13)11-6-3-7-23-11/h1-7H,8H2,(H,18,22)(H2,17,19,20,21)
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4.90n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd



Assay Description
Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...


Bioorg Med Chem 17: 6590-605 (2009)


Article DOI: 10.1016/j.bmc.2009.07.078
BindingDB Entry DOI: 10.7270/Q27M069H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM35835
PNG
(pyrimidine-4-carboxamide, 117)
Show SMILES Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1ccc(C)n1C
Show InChI InChI=1S/C17H19N5O2/c1-10-4-6-12(22(10)3)9-19-16(23)14-8-13(20-17(18)21-14)15-7-5-11(2)24-15/h4-8H,9H2,1-3H3,(H,19,23)(H2,18,20,21)
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5n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd



Assay Description
Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...


Bioorg Med Chem 17: 6590-605 (2009)


Article DOI: 10.1016/j.bmc.2009.07.078
BindingDB Entry DOI: 10.7270/Q27M069H
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))
BDBM50394057
PNG
(CHEMBL2158576)
Show SMILES COc1cc(Cl)c(cc1OC)-c1nc(SCC(=O)NCCF)nc2[nH]cc(C#N)c12
Show InChI InChI=1S/C19H17ClFN5O3S/c1-28-13-5-11(12(20)6-14(13)29-2)17-16-10(7-22)8-24-18(16)26-19(25-17)30-9-15(27)23-4-3-21/h5-6,8H,3-4,9H2,1-2H3,(H,23,27)(H,24,25,26)
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5n/an/an/an/an/an/an/an/a



Vernalis Ltd

Curated by ChEMBL


Assay Description
Inhibition of fluorescently labeled VER51001 binding to full length human HSP90beta after 30 mins by fluorescence polarization assay


Bioorg Med Chem 20: 6770-89 (2012)


Article DOI: 10.1016/j.bmc.2012.08.050
BindingDB Entry DOI: 10.7270/Q2KS6SN4
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM35839
PNG
(pyrimidine-4-carboxamide, 121)
Show SMILES CC(C)n1ccnc1CNC(=O)c1cc(nc(N)n1)-c1ccc(C)o1
Show InChI InChI=1S/C17H20N6O2/c1-10(2)23-7-6-19-15(23)9-20-16(24)13-8-12(21-17(18)22-13)14-5-4-11(3)25-14/h4-8,10H,9H2,1-3H3,(H,20,24)(H2,18,21,22)
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5.5n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd



Assay Description
Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...


Bioorg Med Chem 17: 6590-605 (2009)


Article DOI: 10.1016/j.bmc.2009.07.078
BindingDB Entry DOI: 10.7270/Q27M069H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM35845
PNG
(pyrimidine-4-carboxamide, 58)
Show SMILES Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1ccccc1
Show InChI InChI=1S/C18H17N5O/c1-12-6-5-9-20-16(12)11-21-17(24)15-10-14(22-18(19)23-15)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,21,24)(H2,19,22,23)
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6n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd



Assay Description
Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...


Bioorg Med Chem 17: 6590-605 (2009)


Article DOI: 10.1016/j.bmc.2009.07.078
BindingDB Entry DOI: 10.7270/Q27M069H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM35838
PNG
(pyrimidine-4-carboxamide, 120)
Show SMILES CCCn1ccnc1CNC(=O)c1cc(nc(N)n1)-c1ccc(C)o1
Show InChI InChI=1S/C17H20N6O2/c1-3-7-23-8-6-19-15(23)10-20-16(24)13-9-12(21-17(18)22-13)14-5-4-11(2)25-14/h4-6,8-9H,3,7,10H2,1-2H3,(H,20,24)(H2,18,21,22)
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6n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd



Assay Description
Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...


Bioorg Med Chem 17: 6590-605 (2009)


Article DOI: 10.1016/j.bmc.2009.07.078
BindingDB Entry DOI: 10.7270/Q27M069H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM35777
PNG
(triazine-4-carboxamide, 9)
Show SMILES COc1ccccc1CNC(=O)c1nc(N)nc(n1)-c1ccco1
Show InChI InChI=1S/C16H15N5O3/c1-23-11-6-3-2-5-10(11)9-18-15(22)14-19-13(20-16(17)21-14)12-7-4-8-24-12/h2-8H,9H2,1H3,(H,18,22)(H2,17,19,20,21)
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6.5n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd



Assay Description
Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...


Bioorg Med Chem 17: 6590-605 (2009)


Article DOI: 10.1016/j.bmc.2009.07.078
BindingDB Entry DOI: 10.7270/Q27M069H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM35841
PNG
(pyrimidine-4-carboxamide, 123)
Show SMILES Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1csc(C)n1
Show InChI InChI=1S/C15H15N5O2S/c1-8-3-4-13(22-8)11-5-12(20-15(16)19-11)14(21)17-6-10-7-23-9(2)18-10/h3-5,7H,6H2,1-2H3,(H,17,21)(H2,16,19,20)
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6.5n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd



Assay Description
Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...


Bioorg Med Chem 17: 6590-605 (2009)


Article DOI: 10.1016/j.bmc.2009.07.078
BindingDB Entry DOI: 10.7270/Q27M069H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50296485
PNG
((R)-{3-[(4-Chlorophenyl)-(2-chloropyridin-3-yl)met...)
Show SMILES Clc1ccc(cc1)[C@@H](OC1CN(C1)C(=O)N1CCCCC1)c1cccnc1Cl
Show InChI InChI=1S/C21H23Cl2N3O2/c22-16-8-6-15(7-9-16)19(18-5-4-10-24-20(18)23)28-17-13-26(14-17)21(27)25-11-2-1-3-12-25/h4-10,17,19H,1-3,11-14H2/t19-/m1/s1
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7n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor


Bioorg Med Chem Lett 22: 901-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))
BDBM50394062
PNG
(CHEMBL2158630)
Show SMILES CCN(CC)CCSc1nc(-c2cc(OC)c(OC)cc2Cl)c2c(c[nH]c2n1)C#N
Show InChI InChI=1S/C21H24ClN5O2S/c1-5-27(6-2)7-8-30-21-25-19(18-13(11-23)12-24-20(18)26-21)14-9-16(28-3)17(29-4)10-15(14)22/h9-10,12H,5-8H2,1-4H3,(H,24,25,26)
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7n/an/an/an/an/an/an/an/a



Vernalis Ltd

Curated by ChEMBL


Assay Description
Inhibition of fluorescently labeled VER51001 binding to full length human HSP90beta after 30 mins by fluorescence polarization assay


Bioorg Med Chem 20: 6770-89 (2012)


Article DOI: 10.1016/j.bmc.2012.08.050
BindingDB Entry DOI: 10.7270/Q2KS6SN4
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM35776
PNG
(triazine-4-carboxamide, 8)
Show SMILES Cc1cccc(CNC(=O)c2nc(N)nc(n2)-c2ccco2)c1
Show InChI InChI=1S/C16H15N5O2/c1-10-4-2-5-11(8-10)9-18-15(22)14-19-13(20-16(17)21-14)12-6-3-7-23-12/h2-8H,9H2,1H3,(H,18,22)(H2,17,19,20,21)
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7.5n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd



Assay Description
Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...


Bioorg Med Chem 17: 6590-605 (2009)


Article DOI: 10.1016/j.bmc.2009.07.078
BindingDB Entry DOI: 10.7270/Q27M069H
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))
BDBM50394055
PNG
(CHEMBL2158563)
Show SMILES CCN(CC)CCOc1cc(c(Cl)cc1Cl)-c1nc(SCC(=O)NC)nc2[nH]cc(C#N)c12
Show InChI InChI=1S/C22H24Cl2N6O2S/c1-4-30(5-2)6-7-32-17-8-14(15(23)9-16(17)24)20-19-13(10-25)11-27-21(19)29-22(28-20)33-12-18(31)26-3/h8-9,11H,4-7,12H2,1-3H3,(H,26,31)(H,27,28,29)
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8n/an/an/an/an/an/an/an/a



Vernalis Ltd

Curated by ChEMBL


Assay Description
Inhibition of fluorescently labeled VER51001 binding to full length human HSP90beta after 30 mins by fluorescence polarization assay


Bioorg Med Chem 20: 6770-89 (2012)


Article DOI: 10.1016/j.bmc.2012.08.050
BindingDB Entry DOI: 10.7270/Q2KS6SN4
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM35840
PNG
(pyrimidine-4-carboxamide, 122)
Show SMILES Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1cc(C)on1
Show InChI InChI=1S/C15H15N5O3/c1-8-3-4-13(22-8)11-6-12(19-15(16)18-11)14(21)17-7-10-5-9(2)23-20-10/h3-6H,7H2,1-2H3,(H,17,21)(H2,16,18,19)
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8.5n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd



Assay Description
Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...


Bioorg Med Chem 17: 6590-605 (2009)


Article DOI: 10.1016/j.bmc.2009.07.078
BindingDB Entry DOI: 10.7270/Q27M069H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM35782
PNG
(triazine-4-carboxamide, 14)
Show SMILES COCc1cccc(CNC(=O)c2nc(N)nc(n2)-c2ccco2)n1
Show InChI InChI=1S/C16H16N6O3/c1-24-9-11-5-2-4-10(19-11)8-18-15(23)14-20-13(21-16(17)22-14)12-6-3-7-25-12/h2-7H,8-9H2,1H3,(H,18,23)(H2,17,20,21,22)
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8.80n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd



Assay Description
Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...


Bioorg Med Chem 17: 6590-605 (2009)


Article DOI: 10.1016/j.bmc.2009.07.078
BindingDB Entry DOI: 10.7270/Q27M069H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM35806
PNG
(pyrimidine-4-carboxamide, 62)
Show SMILES Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1cccc(F)c1
Show InChI InChI=1S/C18H16FN5O/c1-11-4-3-7-21-16(11)10-22-17(25)15-9-14(23-18(20)24-15)12-5-2-6-13(19)8-12/h2-9H,10H2,1H3,(H,22,25)(H2,20,23,24)
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9n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd



Assay Description
Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...


Bioorg Med Chem 17: 6590-605 (2009)


Article DOI: 10.1016/j.bmc.2009.07.078
BindingDB Entry DOI: 10.7270/Q27M069H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM35810
PNG
(pyrimidine-4-carboxamide, 70)
Show SMILES Cc1cccc(c1)-c1cc(nc(N)n1)C(=O)NCc1ncccc1C
Show InChI InChI=1S/C19H19N5O/c1-12-5-3-7-14(9-12)15-10-16(24-19(20)23-15)18(25)22-11-17-13(2)6-4-8-21-17/h3-10H,11H2,1-2H3,(H,22,25)(H2,20,23,24)
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9n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd



Assay Description
Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...


Bioorg Med Chem 17: 6590-605 (2009)


Article DOI: 10.1016/j.bmc.2009.07.078
BindingDB Entry DOI: 10.7270/Q27M069H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM35831
PNG
(pyrimidine-4-carboxamide, 113)
Show SMILES Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1cc(C)cc(C)n1
Show InChI InChI=1S/C18H19N5O2/c1-10-6-11(2)21-13(7-10)9-20-17(24)15-8-14(22-18(19)23-15)16-5-4-12(3)25-16/h4-8H,9H2,1-3H3,(H,20,24)(H2,19,22,23)
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9.5n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd



Assay Description
Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...


Bioorg Med Chem 17: 6590-605 (2009)


Article DOI: 10.1016/j.bmc.2009.07.078
BindingDB Entry DOI: 10.7270/Q27M069H
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))
BDBM50394063
PNG
(CHEMBL2158628)
Show SMILES COc1cc(Cl)c(cc1OCCN1CCC(F)(F)C1)-c1nc(SC)nc2[nH]cc(C#N)c12
Show InChI InChI=1S/C21H20ClF2N5O2S/c1-30-15-8-14(22)13(7-16(15)31-6-5-29-4-3-21(23,24)11-29)18-17-12(9-25)10-26-19(17)28-20(27-18)32-2/h7-8,10H,3-6,11H2,1-2H3,(H,26,27,28)
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12n/an/an/an/an/an/an/an/a



Vernalis Ltd

Curated by ChEMBL


Assay Description
Inhibition of fluorescently labeled VER51001 binding to full length human HSP90beta after 30 mins by fluorescence polarization assay


Bioorg Med Chem 20: 6770-89 (2012)


Article DOI: 10.1016/j.bmc.2012.08.050
BindingDB Entry DOI: 10.7270/Q2KS6SN4
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM35820
PNG
(pyrimidine-4-carboxamide, 91)
Show SMILES Cc1ccc(o1)-c1nc(N)nc(C(=O)NCc2ccccn2)c1C
Show InChI InChI=1S/C17H17N5O2/c1-10-6-7-13(24-10)14-11(2)15(22-17(18)21-14)16(23)20-9-12-5-3-4-8-19-12/h3-8H,9H2,1-2H3,(H,20,23)(H2,18,21,22)
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12n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd



Assay Description
Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...


Bioorg Med Chem 17: 6590-605 (2009)


Article DOI: 10.1016/j.bmc.2009.07.078
BindingDB Entry DOI: 10.7270/Q27M069H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM35775
PNG
(triazine-4-carboxamide, 7)
Show SMILES Cc1ccccc1CNC(=O)c1nc(N)nc(n1)-c1ccco1
Show InChI InChI=1S/C16H15N5O2/c1-10-5-2-3-6-11(10)9-18-15(22)14-19-13(20-16(17)21-14)12-7-4-8-23-12/h2-8H,9H2,1H3,(H,18,22)(H2,17,19,20,21)
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12.3n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd



Assay Description
Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...


Bioorg Med Chem 17: 6590-605 (2009)


Article DOI: 10.1016/j.bmc.2009.07.078
BindingDB Entry DOI: 10.7270/Q27M069H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM35805
PNG
(pyrimidine-4-carboxamide, 60)
Show SMILES Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1ccccc1F
Show InChI InChI=1S/C18H16FN5O/c1-11-5-4-8-21-16(11)10-22-17(25)15-9-14(23-18(20)24-15)12-6-2-3-7-13(12)19/h2-9H,10H2,1H3,(H,22,25)(H2,20,23,24)
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14n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd



Assay Description
Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...


Bioorg Med Chem 17: 6590-605 (2009)


Article DOI: 10.1016/j.bmc.2009.07.078
BindingDB Entry DOI: 10.7270/Q27M069H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM35788
PNG
(pyrimidine-4-carboxamide, 57)
Show SMILES Nc1nc(cc(n1)-c1ccccc1)C(=O)NCc1ccccn1
Show InChI InChI=1S/C17H15N5O/c18-17-21-14(12-6-2-1-3-7-12)10-15(22-17)16(23)20-11-13-8-4-5-9-19-13/h1-10H,11H2,(H,20,23)(H2,18,21,22)
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14n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd



Assay Description
Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...


Bioorg Med Chem 17: 6590-605 (2009)


Article DOI: 10.1016/j.bmc.2009.07.078
BindingDB Entry DOI: 10.7270/Q27M069H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform/[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial


(Homo sapiens (Human))
BDBM50236511
PNG
(CHEMBL3718319)
Show SMILES C[C@H]1CCc2cc(ccc2N1C(=O)c1ccc(O)cc1O)C(=O)N(C)Cc1ccc2nccnc2c1
Show InChI InChI=1S/C28H26N4O4/c1-17-3-5-19-14-20(6-10-25(19)32(17)28(36)22-8-7-21(33)15-26(22)34)27(35)31(2)16-18-4-9-23-24(13-18)30-12-11-29-23/h4,6-15,17,33-34H,3,5,16H2,1-2H3/t17-/m0/s1
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16n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Binding affinity towards human Dopamine receptor D2 (long) by [3H]-spiperone displacement.


J Med Chem 60: 2271-2286 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01478
BindingDB Entry DOI: 10.7270/Q2XG9TDJ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM35811
PNG
(pyrimidine-4-carboxamide, 72)
Show SMILES Cc1ccc(cc1)-c1cc(nc(N)n1)C(=O)NCc1ncccc1C
Show InChI InChI=1S/C19H19N5O/c1-12-5-7-14(8-6-12)15-10-16(24-19(20)23-15)18(25)22-11-17-13(2)4-3-9-21-17/h3-10H,11H2,1-2H3,(H,22,25)(H2,20,23,24)
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16n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd



Assay Description
Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...


Bioorg Med Chem 17: 6590-605 (2009)


Article DOI: 10.1016/j.bmc.2009.07.078
BindingDB Entry DOI: 10.7270/Q27M069H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM35789
PNG
(pyrimidine-4-carboxamide, 59)
Show SMILES Nc1nc(cc(n1)-c1ccccc1F)C(=O)NCc1ccccn1
Show InChI InChI=1S/C17H14FN5O/c18-13-7-2-1-6-12(13)14-9-15(23-17(19)22-14)16(24)21-10-11-5-3-4-8-20-11/h1-9H,10H2,(H,21,24)(H2,19,22,23)
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17n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd



Assay Description
Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...


Bioorg Med Chem 17: 6590-605 (2009)


Article DOI: 10.1016/j.bmc.2009.07.078
BindingDB Entry DOI: 10.7270/Q27M069H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM35790
PNG
(pyrimidine-4-carboxamide, 61)
Show SMILES Nc1nc(cc(n1)-c1cccc(F)c1)C(=O)NCc1ccccn1
Show InChI InChI=1S/C17H14FN5O/c18-12-5-3-4-11(8-12)14-9-15(23-17(19)22-14)16(24)21-10-13-6-1-2-7-20-13/h1-9H,10H2,(H,21,24)(H2,19,22,23)
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18n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd



Assay Description
Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...


Bioorg Med Chem 17: 6590-605 (2009)


Article DOI: 10.1016/j.bmc.2009.07.078
BindingDB Entry DOI: 10.7270/Q27M069H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM35794
PNG
(pyrimidine-4-carboxamide, 69)
Show SMILES Cc1cccc(c1)-c1cc(nc(N)n1)C(=O)NCc1ccccn1
Show InChI InChI=1S/C18H17N5O/c1-12-5-4-6-13(9-12)15-10-16(23-18(19)22-15)17(24)21-11-14-7-2-3-8-20-14/h2-10H,11H2,1H3,(H,21,24)(H2,19,22,23)
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18n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd



Assay Description
Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...


Bioorg Med Chem 17: 6590-605 (2009)


Article DOI: 10.1016/j.bmc.2009.07.078
BindingDB Entry DOI: 10.7270/Q27M069H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM35781
PNG
(triazine-4-carboxamide, 13)
Show SMILES Cc1cccnc1CNC(=O)c1nc(N)nc(n1)-c1ccco1
Show InChI InChI=1S/C15H14N6O2/c1-9-4-2-6-17-10(9)8-18-14(22)13-19-12(20-15(16)21-13)11-5-3-7-23-11/h2-7H,8H2,1H3,(H,18,22)(H2,16,19,20,21)
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18.6n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd



Assay Description
Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...


Bioorg Med Chem 17: 6590-605 (2009)


Article DOI: 10.1016/j.bmc.2009.07.078
BindingDB Entry DOI: 10.7270/Q27M069H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM35808
PNG
(pyrimidine-4-carboxamide, 66)
Show SMILES Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1cccc(Cl)c1
Show InChI InChI=1S/C18H16ClN5O/c1-11-4-3-7-21-16(11)10-22-17(25)15-9-14(23-18(20)24-15)12-5-2-6-13(19)8-12/h2-9H,10H2,1H3,(H,22,25)(H2,20,23,24)
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23n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd



Assay Description
Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...


Bioorg Med Chem 17: 6590-605 (2009)


Article DOI: 10.1016/j.bmc.2009.07.078
BindingDB Entry DOI: 10.7270/Q27M069H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM35813
PNG
(pyrimidine-4-carboxamide, 76)
Show SMILES COc1cccc(c1)-c1cc(nc(N)n1)C(=O)NCc1ncccc1C
Show InChI InChI=1S/C19H19N5O2/c1-12-5-4-8-21-17(12)11-22-18(25)16-10-15(23-19(20)24-16)13-6-3-7-14(9-13)26-2/h3-10H,11H2,1-2H3,(H,22,25)(H2,20,23,24)
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24n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd



Assay Description
Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...


Bioorg Med Chem 17: 6590-605 (2009)


Article DOI: 10.1016/j.bmc.2009.07.078
BindingDB Entry DOI: 10.7270/Q27M069H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM35807
PNG
(pyrimidine-4-carboxamide, 64)
Show SMILES Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1ccccc1Cl
Show InChI InChI=1S/C18H16ClN5O/c1-11-5-4-8-21-16(11)10-22-17(25)15-9-14(23-18(20)24-15)12-6-2-3-7-13(12)19/h2-9H,10H2,1H3,(H,22,25)(H2,20,23,24)
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24n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd



Assay Description
Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...


Bioorg Med Chem 17: 6590-605 (2009)


Article DOI: 10.1016/j.bmc.2009.07.078
BindingDB Entry DOI: 10.7270/Q27M069H
More data for this
Ligand-Target Pair
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