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Compile Data Set for Download or QSAR

Found 206 hits with Last Name = 'christie' and Initial = 'j'   
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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50288953
PNG
(11'N-(3-bromobenzyl)spiro[dihydro[1,3]dioxolane-2,...)
Show SMILES Brc1cccc(CNC2C3C4C5C3C3(OCCO3)C3C5CC4C23)c1
Show InChI InChI=1S/C20H22BrNO2/c21-10-3-1-2-9(6-10)8-22-19-15-11-7-12-14-13(11)16(19)18(14)20(17(12)15)23-4-5-24-20/h1-3,6,11-19,22H,4-5,7-8H2
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6.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards sigma receptor in guinea pig brain membrane was determined by using [3H]DTG as the radioligand


Bioorg Med Chem Lett 6: 595-600 (1996)


Article DOI: 10.1016/0960-894X(96)00067-4
BindingDB Entry DOI: 10.7270/Q2GM87TV
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50166735
PNG
(3-[5-(2-Methyl-imidazol-1-yl)-2-(pyrazin-2-ylamino...)
Show SMILES Cc1nccn1-c1sc(Nc2cccc(C)n2)nc1-c1cccc(c1)C#N
Show InChI InChI=1S/C20H16N6S/c1-13-5-3-8-17(23-13)24-20-25-18(16-7-4-6-15(11-16)12-21)19(27-20)26-10-9-22-14(26)2/h3-11H,1-2H3,(H,23,24,25)
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10n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of luciferase production elicited by NECA by compound in CHO cells transfected with human adenosine A2b receptor and a luciferase expressi...


Bioorg Med Chem Lett 15: 3081-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.021
BindingDB Entry DOI: 10.7270/Q2X63NQG
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50033369
PNG
(AMANTADINE | CHEMBL660 | SYMADINE | SYMMETREL)
Show SMILES NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2
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20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards sigma receptor in guinea pig brain membrane was determined by using [3H]DTG as the radioligand


Bioorg Med Chem Lett 6: 595-600 (1996)


Article DOI: 10.1016/0960-894X(96)00067-4
BindingDB Entry DOI: 10.7270/Q2GM87TV
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50166742
PNG
(3-[2-(3-Methyl-pyridin-2-ylamino)-5-[1,2,4]triazol...)
Show SMILES Cc1cccc(Nc2nc(c(s2)-n2cncn2)-c2cccc(c2)C#N)n1
Show InChI InChI=1S/C18H13N7S/c1-12-4-2-7-15(22-12)23-18-24-16(14-6-3-5-13(8-14)9-19)17(26-18)25-11-20-10-21-25/h2-8,10-11H,1H3,(H,22,23,24)
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20n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of luciferase production elicited by NECA by compound in CHO cells transfected with human adenosine A2b receptor and a luciferase expressi...


Bioorg Med Chem Lett 15: 3081-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.021
BindingDB Entry DOI: 10.7270/Q2X63NQG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50166739
PNG
(3-[2-(Pyridin-2-ylamino)-5-[1,2,4]triazol-1-yl-thi...)
Show SMILES N#Cc1cccc(c1)-c1nc(Nc2ccccn2)sc1-n1cncn1
Show InChI InChI=1S/C17H11N7S/c18-9-12-4-3-5-13(8-12)15-16(24-11-19-10-21-24)25-17(23-15)22-14-6-1-2-7-20-14/h1-8,10-11H,(H,20,22,23)
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24n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA from human adenosine A3 receptors transfected in CHO cells


Bioorg Med Chem Lett 15: 3081-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.021
BindingDB Entry DOI: 10.7270/Q2X63NQG
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50288954
PNG
(11-benzyl-11-azahexacyclo[5.4.1.02,6.03,10.04,8.09...)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccccc1
Show InChI InChI=1S/C18H19NO/c20-18-15-10-6-9-11-12(10)16(18)14(11)17(13(9)15)19(18)7-8-4-2-1-3-5-8/h1-5,9-17,20H,6-7H2
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30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards sigma receptor in guinea pig brain membrane was determined by using [3H]DTG as the radioligand


Bioorg Med Chem Lett 6: 595-600 (1996)


Article DOI: 10.1016/0960-894X(96)00067-4
BindingDB Entry DOI: 10.7270/Q2GM87TV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50288949
PNG
(11'N-(4-iodomobenzyl)spiro[dihydro[1,3]dioxolane-2...)
Show SMILES Ic1ccc(CNC2C3C4C5C3C3(OCCO3)C3C5CC4C23)cc1
Show InChI InChI=1S/C20H22INO2/c21-10-3-1-9(2-4-10)8-22-19-15-11-7-12-14-13(11)16(19)18(14)20(17(12)15)23-5-6-24-20/h1-4,11-19,22H,5-8H2
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35n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards sigma receptor in guinea pig brain membrane was determined by using [3H]DTG as the radioligand


Bioorg Med Chem Lett 6: 595-600 (1996)


Article DOI: 10.1016/0960-894X(96)00067-4
BindingDB Entry DOI: 10.7270/Q2GM87TV
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50166742
PNG
(3-[2-(3-Methyl-pyridin-2-ylamino)-5-[1,2,4]triazol...)
Show SMILES Cc1cccc(Nc2nc(c(s2)-n2cncn2)-c2cccc(c2)C#N)n1
Show InChI InChI=1S/C18H13N7S/c1-12-4-2-7-15(22-12)23-18-24-16(14-6-3-5-13(8-14)9-19)17(26-18)25-11-20-10-21-25/h2-8,10-11H,1H3,(H,22,23,24)
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37n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA from human adenosine A3 receptors transfected in CHO cells


Bioorg Med Chem Lett 15: 3081-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.021
BindingDB Entry DOI: 10.7270/Q2X63NQG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50166739
PNG
(3-[2-(Pyridin-2-ylamino)-5-[1,2,4]triazol-1-yl-thi...)
Show SMILES N#Cc1cccc(c1)-c1nc(Nc2ccccn2)sc1-n1cncn1
Show InChI InChI=1S/C17H11N7S/c18-9-12-4-3-5-13(8-12)15-16(24-11-19-10-21-24)25-17(23-15)22-14-6-1-2-7-20-14/h1-8,10-11H,(H,20,22,23)
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53n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of luciferase production elicited by NECA by compound in CHO cells transfected with human adenosine A2b receptor and a luciferase expressi...


Bioorg Med Chem Lett 15: 3081-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.021
BindingDB Entry DOI: 10.7270/Q2X63NQG
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50288950
PNG
(11'N-(3-iodobenzyl)spiro[dihydro[1,3]dioxolane-2,8...)
Show SMILES Ic1cccc(CNC2C3C4C5C3C3(OCCO3)C3C5CC4C23)c1
Show InChI InChI=1S/C20H22INO2/c21-10-3-1-2-9(6-10)8-22-19-15-11-7-12-14-13(11)16(19)18(14)20(17(12)15)23-4-5-24-20/h1-3,6,11-19,22H,4-5,7-8H2
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58n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards sigma receptor in guinea pig brain membrane was determined by using [3H]DTG as the radioligand


Bioorg Med Chem Lett 6: 595-600 (1996)


Article DOI: 10.1016/0960-894X(96)00067-4
BindingDB Entry DOI: 10.7270/Q2GM87TV
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50166745
PNG
(3-[2-(Pyridin-4-ylamino)-5-[1,2,4]triazol-1-yl-thi...)
Show SMILES N#Cc1cccc(c1)-c1nc(Nc2ccncc2)sc1-n1cncn1
Show InChI InChI=1S/C17H11N7S/c18-9-12-2-1-3-13(8-12)15-16(24-11-20-10-21-24)25-17(23-15)22-14-4-6-19-7-5-14/h1-8,10-11H,(H,19,22,23)
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62n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of luciferase production elicited by NECA by compound in CHO cells transfected with human adenosine A2b receptor and a luciferase expressi...


Bioorg Med Chem Lett 15: 3081-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.021
BindingDB Entry DOI: 10.7270/Q2X63NQG
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50288955
PNG
(11'N-benzylspiro[dihydro[1,3]dioxolane-2,8'-pentac...)
Show SMILES C(NC1C2C3C4C2C2(OCCO2)C2C4CC3C12)c1ccccc1
Show InChI InChI=1S/C20H23NO2/c1-2-4-10(5-3-1)9-21-19-15-11-8-12-14-13(11)16(19)18(14)20(17(12)15)22-6-7-23-20/h1-5,11-19,21H,6-9H2
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79n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards sigma receptor in guinea pig brain membrane was determined by using [3H]DTG as the radioligand


Bioorg Med Chem Lett 6: 595-600 (1996)


Article DOI: 10.1016/0960-894X(96)00067-4
BindingDB Entry DOI: 10.7270/Q2GM87TV
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50166737
PNG
(3-[2-(Pyridin-3-ylamino)-5-[1,2,4]triazol-1-yl-thi...)
Show SMILES N#Cc1cccc(c1)-c1nc(Nc2cccnc2)sc1-n1cncn1
Show InChI InChI=1S/C17H11N7S/c18-8-12-3-1-4-13(7-12)15-16(24-11-20-10-21-24)25-17(23-15)22-14-5-2-6-19-9-14/h1-7,9-11H,(H,22,23)
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86n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of luciferase production elicited by NECA by compound in CHO cells transfected with human adenosine A2b receptor and a luciferase expressi...


Bioorg Med Chem Lett 15: 3081-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.021
BindingDB Entry DOI: 10.7270/Q2X63NQG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50166743
PNG
(3-[5-Imidazol-1-yl-2-(pyridin-3-ylamino)-thiazol-4...)
Show SMILES N#Cc1cccc(c1)-c1nc(Nc2cccnc2)sc1-n1ccnc1
Show InChI InChI=1S/C18H12N6S/c19-10-13-3-1-4-14(9-13)16-17(24-8-7-21-12-24)25-18(23-16)22-15-5-2-6-20-11-15/h1-9,11-12H,(H,22,23)
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92n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of luciferase production elicited by NECA by compound in CHO cells transfected with human adenosine A2b receptor and a luciferase expressi...


Bioorg Med Chem Lett 15: 3081-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.021
BindingDB Entry DOI: 10.7270/Q2X63NQG
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50288952
PNG
(11-(3-bromobenzyl)-11-azahexacyclo[5.4.1.02,6.03,1...)
Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1cccc(Br)c1
Show InChI InChI=1S/C18H18BrNO/c19-8-3-1-2-7(4-8)6-20-17-13-9-5-10-12-11(9)14(17)16(12)18(20,21)15(10)13/h1-4,9-17,21H,5-6H2
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109n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards sigma receptor in guinea pig brain membrane was determined by using [3H]DTG as the radioligand


Bioorg Med Chem Lett 6: 595-600 (1996)


Article DOI: 10.1016/0960-894X(96)00067-4
BindingDB Entry DOI: 10.7270/Q2GM87TV
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50166743
PNG
(3-[5-Imidazol-1-yl-2-(pyridin-3-ylamino)-thiazol-4...)
Show SMILES N#Cc1cccc(c1)-c1nc(Nc2cccnc2)sc1-n1ccnc1
Show InChI InChI=1S/C18H12N6S/c19-10-13-3-1-4-14(9-13)16-17(24-8-7-21-12-24)25-18(23-16)22-15-5-2-6-20-11-15/h1-9,11-12H,(H,22,23)
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124n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA from human adenosine A3 receptors transfected in CHO cells


Bioorg Med Chem Lett 15: 3081-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.021
BindingDB Entry DOI: 10.7270/Q2X63NQG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50166741
PNG
(4-(3-cyanophenyl)-5-(1H-1,2,4-triazol-1-yl)-1,3-th...)
Show SMILES [O-]C(=O)Nc1nc(c(s1)-n1cncn1)-c1cccc(c1)C#N
Show InChI InChI=1S/C13H8N6O2S/c14-5-8-2-1-3-9(4-8)10-11(19-7-15-6-16-19)22-12(17-10)18-13(20)21/h1-4,6-7H,(H,17,18)(H,20,21)/p-1
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134n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA from human adenosine A3 receptors transfected in CHO cells


Bioorg Med Chem Lett 15: 3081-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.021
BindingDB Entry DOI: 10.7270/Q2X63NQG
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50166735
PNG
(3-[5-(2-Methyl-imidazol-1-yl)-2-(pyrazin-2-ylamino...)
Show SMILES Cc1nccn1-c1sc(Nc2cccc(C)n2)nc1-c1cccc(c1)C#N
Show InChI InChI=1S/C20H16N6S/c1-13-5-3-8-17(23-13)24-20-25-18(16-7-4-6-15(11-16)12-21)19(27-20)26-10-9-22-14(26)2/h3-11H,1-2H3,(H,23,24,25)
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175n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM-241,385 from human adenosine A2a receptors transfected in HEK 293 cells


Bioorg Med Chem Lett 15: 3081-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.021
BindingDB Entry DOI: 10.7270/Q2X63NQG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50166735
PNG
(3-[5-(2-Methyl-imidazol-1-yl)-2-(pyrazin-2-ylamino...)
Show SMILES Cc1nccn1-c1sc(Nc2cccc(C)n2)nc1-c1cccc(c1)C#N
Show InChI InChI=1S/C20H16N6S/c1-13-5-3-8-17(23-13)24-20-25-18(16-7-4-6-15(11-16)12-21)19(27-20)26-10-9-22-14(26)2/h3-11H,1-2H3,(H,23,24,25)
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224n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptors transfected in CHO cells


Bioorg Med Chem Lett 15: 3081-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.021
BindingDB Entry DOI: 10.7270/Q2X63NQG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50166745
PNG
(3-[2-(Pyridin-4-ylamino)-5-[1,2,4]triazol-1-yl-thi...)
Show SMILES N#Cc1cccc(c1)-c1nc(Nc2ccncc2)sc1-n1cncn1
Show InChI InChI=1S/C17H11N7S/c18-9-12-2-1-3-13(8-12)15-16(24-11-20-10-21-24)25-17(23-15)22-14-4-6-19-7-5-14/h1-8,10-11H,(H,19,22,23)
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304n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA from human adenosine A3 receptors transfected in CHO cells


Bioorg Med Chem Lett 15: 3081-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.021
BindingDB Entry DOI: 10.7270/Q2X63NQG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50166741
PNG
(4-(3-cyanophenyl)-5-(1H-1,2,4-triazol-1-yl)-1,3-th...)
Show SMILES [O-]C(=O)Nc1nc(c(s1)-n1cncn1)-c1cccc(c1)C#N
Show InChI InChI=1S/C13H8N6O2S/c14-5-8-2-1-3-9(4-8)10-11(19-7-15-6-16-19)22-12(17-10)18-13(20)21/h1-4,6-7H,(H,17,18)(H,20,21)/p-1
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365n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of luciferase production elicited by NECA by compound in CHO cells transfected with human adenosine A2b receptor and a luciferase expressi...


Bioorg Med Chem Lett 15: 3081-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.021
BindingDB Entry DOI: 10.7270/Q2X63NQG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50166735
PNG
(3-[5-(2-Methyl-imidazol-1-yl)-2-(pyrazin-2-ylamino...)
Show SMILES Cc1nccn1-c1sc(Nc2cccc(C)n2)nc1-c1cccc(c1)C#N
Show InChI InChI=1S/C20H16N6S/c1-13-5-3-8-17(23-13)24-20-25-18(16-7-4-6-15(11-16)12-21)19(27-20)26-10-9-22-14(26)2/h3-11H,1-2H3,(H,23,24,25)
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419n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA from human adenosine A3 receptors transfected in CHO cells


Bioorg Med Chem Lett 15: 3081-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.021
BindingDB Entry DOI: 10.7270/Q2X63NQG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50166743
PNG
(3-[5-Imidazol-1-yl-2-(pyridin-3-ylamino)-thiazol-4...)
Show SMILES N#Cc1cccc(c1)-c1nc(Nc2cccnc2)sc1-n1ccnc1
Show InChI InChI=1S/C18H12N6S/c19-10-13-3-1-4-14(9-13)16-17(24-8-7-21-12-24)25-18(23-16)22-15-5-2-6-20-11-15/h1-9,11-12H,(H,22,23)
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560n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptors transfected in CHO cells


Bioorg Med Chem Lett 15: 3081-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.021
BindingDB Entry DOI: 10.7270/Q2X63NQG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50166737
PNG
(3-[2-(Pyridin-3-ylamino)-5-[1,2,4]triazol-1-yl-thi...)
Show SMILES N#Cc1cccc(c1)-c1nc(Nc2cccnc2)sc1-n1cncn1
Show InChI InChI=1S/C17H11N7S/c18-8-12-3-1-4-13(7-12)15-16(24-11-20-10-21-24)25-17(23-15)22-14-5-2-6-19-9-14/h1-7,9-11H,(H,22,23)
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698n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA from human adenosine A3 receptors transfected in CHO cells


Bioorg Med Chem Lett 15: 3081-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.021
BindingDB Entry DOI: 10.7270/Q2X63NQG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50166737
PNG
(3-[2-(Pyridin-3-ylamino)-5-[1,2,4]triazol-1-yl-thi...)
Show SMILES N#Cc1cccc(c1)-c1nc(Nc2cccnc2)sc1-n1cncn1
Show InChI InChI=1S/C17H11N7S/c18-8-12-3-1-4-13(7-12)15-16(24-11-20-10-21-24)25-17(23-15)22-14-5-2-6-19-9-14/h1-7,9-11H,(H,22,23)
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1.53E+3n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptors transfected in CHO cells


Bioorg Med Chem Lett 15: 3081-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.021
BindingDB Entry DOI: 10.7270/Q2X63NQG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50166739
PNG
(3-[2-(Pyridin-2-ylamino)-5-[1,2,4]triazol-1-yl-thi...)
Show SMILES N#Cc1cccc(c1)-c1nc(Nc2ccccn2)sc1-n1cncn1
Show InChI InChI=1S/C17H11N7S/c18-9-12-4-3-5-13(8-12)15-16(24-11-19-10-21-24)25-17(23-15)22-14-6-1-2-7-20-14/h1-8,10-11H,(H,20,22,23)
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1.76E+3n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptors transfected in CHO cells


Bioorg Med Chem Lett 15: 3081-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.021
BindingDB Entry DOI: 10.7270/Q2X63NQG
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50166739
PNG
(3-[2-(Pyridin-2-ylamino)-5-[1,2,4]triazol-1-yl-thi...)
Show SMILES N#Cc1cccc(c1)-c1nc(Nc2ccccn2)sc1-n1cncn1
Show InChI InChI=1S/C17H11N7S/c18-9-12-4-3-5-13(8-12)15-16(24-11-19-10-21-24)25-17(23-15)22-14-6-1-2-7-20-14/h1-8,10-11H,(H,20,22,23)
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2.02E+3n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM-241,385 from human adenosine A2a receptors transfected in HEK 293 cells


Bioorg Med Chem Lett 15: 3081-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.021
BindingDB Entry DOI: 10.7270/Q2X63NQG
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50166737
PNG
(3-[2-(Pyridin-3-ylamino)-5-[1,2,4]triazol-1-yl-thi...)
Show SMILES N#Cc1cccc(c1)-c1nc(Nc2cccnc2)sc1-n1cncn1
Show InChI InChI=1S/C17H11N7S/c18-8-12-3-1-4-13(7-12)15-16(24-11-20-10-21-24)25-17(23-15)22-14-5-2-6-19-9-14/h1-7,9-11H,(H,22,23)
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2.57E+3n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM-241,385 from human adenosine A2a receptors transfected in HEK 293 cells


Bioorg Med Chem Lett 15: 3081-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.021
BindingDB Entry DOI: 10.7270/Q2X63NQG
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50166743
PNG
(3-[5-Imidazol-1-yl-2-(pyridin-3-ylamino)-thiazol-4...)
Show SMILES N#Cc1cccc(c1)-c1nc(Nc2cccnc2)sc1-n1ccnc1
Show InChI InChI=1S/C18H12N6S/c19-10-13-3-1-4-14(9-13)16-17(24-8-7-21-12-24)25-18(23-16)22-15-5-2-6-20-11-15/h1-9,11-12H,(H,22,23)
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2.70E+3n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM-241,385 from human adenosine A2a receptors transfected in HEK 293 cells


Bioorg Med Chem Lett 15: 3081-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.021
BindingDB Entry DOI: 10.7270/Q2X63NQG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50166741
PNG
(4-(3-cyanophenyl)-5-(1H-1,2,4-triazol-1-yl)-1,3-th...)
Show SMILES [O-]C(=O)Nc1nc(c(s1)-n1cncn1)-c1cccc(c1)C#N
Show InChI InChI=1S/C13H8N6O2S/c14-5-8-2-1-3-9(4-8)10-11(19-7-15-6-16-19)22-12(17-10)18-13(20)21/h1-4,6-7H,(H,17,18)(H,20,21)/p-1
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2.84E+3n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptors transfected in CHO cells


Bioorg Med Chem Lett 15: 3081-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.021
BindingDB Entry DOI: 10.7270/Q2X63NQG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50166745
PNG
(3-[2-(Pyridin-4-ylamino)-5-[1,2,4]triazol-1-yl-thi...)
Show SMILES N#Cc1cccc(c1)-c1nc(Nc2ccncc2)sc1-n1cncn1
Show InChI InChI=1S/C17H11N7S/c18-9-12-2-1-3-13(8-12)15-16(24-11-20-10-21-24)25-17(23-15)22-14-4-6-19-7-5-14/h1-8,10-11H,(H,19,22,23)
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3.78E+3n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptors transfected in CHO cells


Bioorg Med Chem Lett 15: 3081-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.021
BindingDB Entry DOI: 10.7270/Q2X63NQG
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50166745
PNG
(3-[2-(Pyridin-4-ylamino)-5-[1,2,4]triazol-1-yl-thi...)
Show SMILES N#Cc1cccc(c1)-c1nc(Nc2ccncc2)sc1-n1cncn1
Show InChI InChI=1S/C17H11N7S/c18-9-12-2-1-3-13(8-12)15-16(24-11-20-10-21-24)25-17(23-15)22-14-4-6-19-7-5-14/h1-8,10-11H,(H,19,22,23)
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4.16E+3n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM-241,385 from human adenosine A2a receptors transfected in HEK 293 cells


Bioorg Med Chem Lett 15: 3081-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.021
BindingDB Entry DOI: 10.7270/Q2X63NQG
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50166741
PNG
(4-(3-cyanophenyl)-5-(1H-1,2,4-triazol-1-yl)-1,3-th...)
Show SMILES [O-]C(=O)Nc1nc(c(s1)-n1cncn1)-c1cccc(c1)C#N
Show InChI InChI=1S/C13H8N6O2S/c14-5-8-2-1-3-9(4-8)10-11(19-7-15-6-16-19)22-12(17-10)18-13(20)21/h1-4,6-7H,(H,17,18)(H,20,21)/p-1
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5.61E+3n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM-241,385 from human adenosine A2a receptors transfected in HEK 293 cells


Bioorg Med Chem Lett 15: 3081-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.021
BindingDB Entry DOI: 10.7270/Q2X63NQG
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50166742
PNG
(3-[2-(3-Methyl-pyridin-2-ylamino)-5-[1,2,4]triazol...)
Show SMILES Cc1cccc(Nc2nc(c(s2)-n2cncn2)-c2cccc(c2)C#N)n1
Show InChI InChI=1S/C18H13N7S/c1-12-4-2-7-15(22-12)23-18-24-16(14-6-3-5-13(8-14)9-19)17(26-18)25-11-20-10-21-25/h2-8,10-11H,1H3,(H,22,23,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM-241,385 from human adenosine A2a receptors transfected in HEK 293 cells


Bioorg Med Chem Lett 15: 3081-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.021
BindingDB Entry DOI: 10.7270/Q2X63NQG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50166742
PNG
(3-[2-(3-Methyl-pyridin-2-ylamino)-5-[1,2,4]triazol...)
Show SMILES Cc1cccc(Nc2nc(c(s2)-n2cncn2)-c2cccc(c2)C#N)n1
Show InChI InChI=1S/C18H13N7S/c1-12-4-2-7-15(22-12)23-18-24-16(14-6-3-5-13(8-14)9-19)17(26-18)25-11-20-10-21-25/h2-8,10-11H,1H3,(H,22,23,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptors transfected in CHO cells


Bioorg Med Chem Lett 15: 3081-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.021
BindingDB Entry DOI: 10.7270/Q2X63NQG
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM50108504
PNG
(4-(8-(benzo[c][1,2,5]oxadiazol-5-yl)-1,7-naphthyri...)
Show SMILES OC(=O)c1ccc(cc1)-c1cc2cccnc2c(n1)-c1ccc2nonc2c1
Show InChI InChI=1S/C21H12N4O3/c26-21(27)13-5-3-12(4-6-13)17-10-14-2-1-9-22-19(14)20(23-17)15-7-8-16-18(11-15)25-28-24-16/h1-11H,(H,26,27)
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n/an/a 1.5n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D


J Med Chem 58: 6747-52 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00902
BindingDB Entry DOI: 10.7270/Q2319XPF
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM50108504
PNG
(4-(8-(benzo[c][1,2,5]oxadiazol-5-yl)-1,7-naphthyri...)
Show SMILES OC(=O)c1ccc(cc1)-c1cc2cccnc2c(n1)-c1ccc2nonc2c1
Show InChI InChI=1S/C21H12N4O3/c26-21(27)13-5-3-12(4-6-13)17-10-14-2-1-9-22-19(14)20(23-17)15-7-8-16-18(11-15)25-28-24-16/h1-11H,(H,26,27)
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n/an/a 1.5n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D


J Med Chem 55: 7472-9 (2012)


Article DOI: 10.1021/jm300459a
BindingDB Entry DOI: 10.7270/Q2RN390V
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM50113973
PNG
(CHEMBL3605513)
Show SMILES N#Cc1cccc(c1)-c1nc(cc2cccnc12)N1CCOCC1
Show InChI InChI=1S/C19H16N4O/c20-13-14-3-1-4-15(11-14)19-18-16(5-2-6-21-18)12-17(22-19)23-7-9-24-10-8-23/h1-6,11-12H,7-10H2
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n/an/a 3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D


J Med Chem 58: 6747-52 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00902
BindingDB Entry DOI: 10.7270/Q2319XPF
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50418943
PNG
(CHEMBL1807821)
Show SMILES O[C@@H](CNCCCOCCOCCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C22H28N2O5S/c25-18-8-7-17(21-20(18)24-22(27)30-21)19(26)15-23-10-4-11-28-13-14-29-12-9-16-5-2-1-3-6-16/h1-3,5-8,19,23,25-26H,4,9-15H2,(H,24,27)/t19-/m0/s1
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n/an/a 3.20n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic beta1 receptor


Bioorg Med Chem Lett 21: 4612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.097
BindingDB Entry DOI: 10.7270/Q2QV3NS2
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50418942
PNG
(CHEMBL1807822)
Show SMILES O[C@@H](CNCCCOCCOCCc1cccc2ccccc12)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C26H30N2O5S/c29-22-10-9-21(25-24(22)28-26(31)34-25)23(30)17-27-12-4-13-32-15-16-33-14-11-19-7-3-6-18-5-1-2-8-20(18)19/h1-3,5-10,23,27,29-30H,4,11-17H2,(H,28,31)/t23-/m0/s1
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n/an/a 3.20n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic beta1 receptor


Bioorg Med Chem Lett 21: 4612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.097
BindingDB Entry DOI: 10.7270/Q2QV3NS2
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50418944
PNG
(CHEMBL1807819)
Show SMILES O[C@@H](CNCCCSCCCOCCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C23H30N2O4S2/c26-19-9-8-18(22-21(19)25-23(28)31-22)20(27)16-24-11-4-14-30-15-5-12-29-13-10-17-6-2-1-3-7-17/h1-3,6-9,20,24,26-27H,4-5,10-16H2,(H,25,28)/t20-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic beta1 receptor


Bioorg Med Chem Lett 21: 4612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.097
BindingDB Entry DOI: 10.7270/Q2QV3NS2
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM50396765
PNG
(CHEMBL2172376)
Show SMILES CSc1cccc(c1)-c1nc(cc2cccnc12)[C@H]1CC[C@@H](CC1)C(O)=O
Show InChI InChI=1S/C22H22N2O2S/c1-27-18-6-2-4-16(12-18)21-20-17(5-3-11-23-20)13-19(24-21)14-7-9-15(10-8-14)22(25)26/h2-6,11-15H,7-10H2,1H3,(H,25,26)/t14-,15-
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n/an/a 6n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D-mediated [3H]CAMP hydrolysis after 30 to 60 mins by scintillation proximity assay


J Med Chem 55: 7472-9 (2012)


Article DOI: 10.1021/jm300459a
BindingDB Entry DOI: 10.7270/Q2RN390V
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50418958
PNG
(CHEMBL1807820)
Show SMILES O[C@@H](CNCCCSCCOCCc1cccc2ccccc12)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C26H30N2O4S2/c29-22-10-9-21(25-24(22)28-26(31)34-25)23(30)17-27-12-4-15-33-16-14-32-13-11-19-7-3-6-18-5-1-2-8-20(18)19/h1-3,5-10,23,27,29-30H,4,11-17H2,(H,28,31)/t23-/m0/s1
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n/an/a 7.90n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic beta1 receptor


Bioorg Med Chem Lett 21: 4612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.097
BindingDB Entry DOI: 10.7270/Q2QV3NS2
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50418945
PNG
(CHEMBL1807818)
Show SMILES O[C@@H](CNCCCSCCOCCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C22H28N2O4S2/c25-18-8-7-17(21-20(18)24-22(27)30-21)19(26)15-23-10-4-13-29-14-12-28-11-9-16-5-2-1-3-6-16/h1-3,5-8,19,23,25-26H,4,9-15H2,(H,24,27)/t19-/m0/s1
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n/an/a 7.90n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic beta1 receptor


Bioorg Med Chem Lett 21: 4612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.097
BindingDB Entry DOI: 10.7270/Q2QV3NS2
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50418946
PNG
(CHEMBL1807817)
Show SMILES O[C@@H](CNCCSCCCOCCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C22H28N2O4S2/c25-18-8-7-17(21-20(18)24-22(27)30-21)19(26)15-23-10-14-29-13-4-11-28-12-9-16-5-2-1-3-6-16/h1-3,5-8,19,23,25-26H,4,9-15H2,(H,24,27)/t19-/m0/s1
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n/an/a 7.90n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic beta1 receptor


Bioorg Med Chem Lett 21: 4612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.097
BindingDB Entry DOI: 10.7270/Q2QV3NS2
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM50113976
PNG
(CHEMBL3605510)
Show SMILES NC(=O)C1CCN(CC1)c1cc2cccnc2c(n1)-c1cccc(c1)C#N
Show InChI InChI=1S/C21H19N5O/c22-13-14-3-1-4-16(11-14)20-19-17(5-2-8-24-19)12-18(25-20)26-9-6-15(7-10-26)21(23)27/h1-5,8,11-12,15H,6-7,9-10H2,(H2,23,27)
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n/an/a 8n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D


J Med Chem 58: 6747-52 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00902
BindingDB Entry DOI: 10.7270/Q2319XPF
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM50113975
PNG
(CHEMBL3605511)
Show SMILES OCC1CCN(CC1)c1cc2cccnc2c(n1)-c1cccc(c1)C#N
Show InChI InChI=1S/C21H20N4O/c22-13-16-3-1-4-17(11-16)21-20-18(5-2-8-23-20)12-19(24-21)25-9-6-15(14-26)7-10-25/h1-5,8,11-12,15,26H,6-7,9-10,14H2
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n/an/a 13n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D


J Med Chem 58: 6747-52 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00902
BindingDB Entry DOI: 10.7270/Q2319XPF
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50396765
PNG
(CHEMBL2172376)
Show SMILES CSc1cccc(c1)-c1nc(cc2cccnc12)[C@H]1CC[C@@H](CC1)C(O)=O
Show InChI InChI=1S/C22H22N2O2S/c1-27-18-6-2-4-16(12-18)21-20-17(5-3-11-23-20)13-19(24-21)14-7-9-15(10-8-14)22(25)26/h2-6,11-15H,7-10H2,1H3,(H,25,26)/t14-,15-
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n/an/a 17n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B-mediated [3H]CAMP hydrolysis after 30 to 60 mins by scintillation proximity assay


J Med Chem 55: 7472-9 (2012)


Article DOI: 10.1021/jm300459a
BindingDB Entry DOI: 10.7270/Q2RN390V
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM50396759
PNG
(CHEMBL2172370)
Show SMILES OC(=O)C1CCN(CC1)c1cc2cccnc2c(n1)-c1cccc(c1)C#N
Show InChI InChI=1S/C21H18N4O2/c22-13-14-3-1-4-16(11-14)20-19-17(5-2-8-23-19)12-18(24-20)25-9-6-15(7-10-25)21(26)27/h1-5,8,11-12,15H,6-7,9-10H2,(H,26,27)
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n/an/a 19n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D-mediated [3H]CAMP hydrolysis after 30 to 60 mins by scintillation proximity assay


J Med Chem 55: 7472-9 (2012)


Article DOI: 10.1021/jm300459a
BindingDB Entry DOI: 10.7270/Q2RN390V
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM50396759
PNG
(CHEMBL2172370)
Show SMILES OC(=O)C1CCN(CC1)c1cc2cccnc2c(n1)-c1cccc(c1)C#N
Show InChI InChI=1S/C21H18N4O2/c22-13-14-3-1-4-16(11-14)20-19-17(5-2-8-23-19)12-18(24-20)25-9-6-15(7-10-25)21(26)27/h1-5,8,11-12,15H,6-7,9-10H2,(H,26,27)
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n/an/a 19n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D


J Med Chem 58: 6747-52 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00902
BindingDB Entry DOI: 10.7270/Q2319XPF
More data for this
Ligand-Target Pair
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