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Compile Data Set for Download or QSAR

Found 54 hits with Last Name = 'fujii' and Initial = 'a'   
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
Glucagon receptor


(Homo sapiens (Human))
BDBM50122102
PNG
(3-Cyano-4-hydroxy-benzoic acid [1-(2,3,5,6-tetrame...)
Show SMILES Cc1cc(C)c(C)c(Cn2ccc3c(\C=N\NC(=O)c4ccc(O)c(c4)C#N)cccc23)c1C
Show InChI InChI=1S/C28H26N4O2/c1-17-12-18(2)20(4)25(19(17)3)16-32-11-10-24-22(6-5-7-26(24)32)15-30-31-28(34)21-8-9-27(33)23(13-21)14-29/h5-13,15,33H,16H2,1-4H3,(H,31,34)/b30-15+
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n/an/a 2.30n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Antagonist activity against human glucagon receptor


Bioorg Med Chem Lett 24: 4266-70 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.025
BindingDB Entry DOI: 10.7270/Q2ZW1NK4
More data for this
Ligand-Target Pair
Glucagon receptor


(Rattus norvegicus)
BDBM50057796
PNG
(CHEMBL3326188)
Show SMILES CCCCCc1ccc(cc1)-c1ccoc1C(=O)NNC(=O)c1ccc(O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H23N3O6/c1-2-3-4-5-15-6-8-16(9-7-15)18-12-13-32-21(18)23(29)25-24-22(28)17-10-11-20(27)19(14-17)26(30)31/h6-14,27H,2-5H2,1H3,(H,24,28)(H,25,29)
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n/an/a 5.30n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of glucagon-induced glucagon receptor-mediated cAMP production in rat hepatocytes after 15 mins by cAMP dynamic2 assay


Bioorg Med Chem Lett 24: 4266-70 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.025
BindingDB Entry DOI: 10.7270/Q2ZW1NK4
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM50116666
PNG
(4-Methyl-3,6-dihydro-1H-pyridin-(2Z)-ylideneamine ...)
Show SMILES CC1=CC(N)=NCC1 |c:4,t:1|
Show InChI InChI=1S/C6H10N2/c1-5-2-3-8-6(7)4-5/h4H,2-3H2,1H3,(H2,7,8)
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n/an/a 22n/an/an/an/an/an/a



Fukui Research Institute

Curated by ChEMBL


Assay Description
The concentration required for inhibition of Inducible nitric oxide synthase in mouse


Bioorg Med Chem Lett 12: 2291-4 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V3P
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM50116674
PNG
(6-Allyl-4-methyl-5,6-dihydro-1H-pyridin-(2Z)-ylide...)
Show SMILES CC1=CC(N)=NC(CC=C)C1 |c:4,t:1|
Show InChI InChI=1S/C9H14N2/c1-3-4-8-5-7(2)6-9(10)11-8/h3,6,8H,1,4-5H2,2H3,(H2,10,11)
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n/an/a 25n/an/an/an/an/an/a



Fukui Research Institute

Curated by ChEMBL


Assay Description
The concentration required for inhibition of Inducible nitric oxide synthase in mouse


Bioorg Med Chem Lett 12: 2291-4 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V3P
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50116674
PNG
(6-Allyl-4-methyl-5,6-dihydro-1H-pyridin-(2Z)-ylide...)
Show SMILES CC1=CC(N)=NC(CC=C)C1 |c:4,t:1|
Show InChI InChI=1S/C9H14N2/c1-3-4-8-5-7(2)6-9(10)11-8/h3,6,8H,1,4-5H2,2H3,(H2,10,11)
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n/an/a 50n/an/an/an/an/an/a



Fukui Research Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit human Inducible nitric oxide synthase over expressed in A549 cells


Bioorg Med Chem Lett 12: 2291-4 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V3P
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50116668
PNG
(4-Methyl-6-propyl-5,6-dihydro-1H-pyridin-(2Z)-ylid...)
Show SMILES CCCC1CC(C)=CC(N)=N1 |c:6,9|
Show InChI InChI=1S/C9H16N2/c1-3-4-8-5-7(2)6-9(10)11-8/h6,8H,3-5H2,1-2H3,(H2,10,11)
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n/an/a 60n/an/an/an/an/an/a



Fukui Research Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit human Inducible nitric oxide synthase over expressed in A549 cells


Bioorg Med Chem Lett 12: 2291-4 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V3P
More data for this
Ligand-Target Pair
Glucagon receptor


(Rattus norvegicus)
BDBM50057824
PNG
(CHEMBL3326175)
Show SMILES Oc1ccc(cc1[N+]([O-])=O)C(=O)NNC(=O)c1occ(c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C24H17N3O6/c28-20-12-11-17(13-19(20)27(31)32)23(29)25-26-24(30)22-21(16-9-5-2-6-10-16)18(14-33-22)15-7-3-1-4-8-15/h1-14,28H,(H,25,29)(H,26,30)
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n/an/a 87n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from glucagon receptor in rat hepatocyte membranes after 30 mins by gamma-counting


Bioorg Med Chem Lett 24: 4266-70 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.025
BindingDB Entry DOI: 10.7270/Q2ZW1NK4
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM50116668
PNG
(4-Methyl-6-propyl-5,6-dihydro-1H-pyridin-(2Z)-ylid...)
Show SMILES CCCC1CC(C)=CC(N)=N1 |c:6,9|
Show InChI InChI=1S/C9H16N2/c1-3-4-8-5-7(2)6-9(10)11-8/h6,8H,3-5H2,1-2H3,(H2,10,11)
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n/an/a 100n/an/an/an/an/an/a



Fukui Research Institute

Curated by ChEMBL


Assay Description
The concentration required for inhibition of Inducible nitric oxide synthase in mouse


Bioorg Med Chem Lett 12: 2291-4 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V3P
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM50116667
PNG
(4,5,5-Trimethyl-5,6-dihydro-1H-pyridin-(2Z)-yliden...)
Show SMILES CC1=CC(N)=NCC1(C)C |c:4,t:1|
Show InChI InChI=1S/C8H14N2/c1-6-4-7(9)10-5-8(6,2)3/h4H,5H2,1-3H3,(H2,9,10)
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n/an/a 100n/an/an/an/an/an/a



Fukui Research Institute

Curated by ChEMBL


Assay Description
The concentration required for inhibition of Inducible nitric oxide synthase in mouse


Bioorg Med Chem Lett 12: 2291-4 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V3P
More data for this
Ligand-Target Pair
Glucagon receptor


(Rattus norvegicus)
BDBM50057820
PNG
(CHEMBL3326174)
Show SMILES Oc1ccc(cc1C(F)(F)F)C(=O)NNC(=O)c1occ(c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C25H17F3N2O4/c26-25(27,28)19-13-17(11-12-20(19)31)23(32)29-30-24(33)22-21(16-9-5-2-6-10-16)18(14-34-22)15-7-3-1-4-8-15/h1-14,31H,(H,29,32)(H,30,33)
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n/an/a 160n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from glucagon receptor in rat hepatocyte membranes after 30 mins by gamma-counting


Bioorg Med Chem Lett 24: 4266-70 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.025
BindingDB Entry DOI: 10.7270/Q2ZW1NK4
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50116670
PNG
((4aR,7aR)-4-Methyl-1,4a,5,6,7,7a-hexahydro-[1]pyri...)
Show SMILES CC1=CC(N)=N[C@@H]2CCC[C@H]12 |c:4,t:1|
Show InChI InChI=1S/C9H14N2/c1-6-5-9(10)11-8-4-2-3-7(6)8/h5,7-8H,2-4H2,1H3,(H2,10,11)/t7-,8-/m1/s1
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n/an/a 170n/an/an/an/an/an/a



Fukui Research Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit human Inducible nitric oxide synthase over expressed in A549 cells


Bioorg Med Chem Lett 12: 2291-4 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V3P
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50116676
PNG
(4,6-Dimethyl-5,6-dihydro-1H-pyridin-(2Z)-ylideneam...)
Show SMILES CC1CC(C)=CC(N)=N1 |c:4,7|
Show InChI InChI=1S/C7H12N2/c1-5-3-6(2)9-7(8)4-5/h4,6H,3H2,1-2H3,(H2,8,9)
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n/an/a 180n/an/an/an/an/an/a



Fukui Research Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit Inducible nitric oxide synthase over expressed in A549 cells


Bioorg Med Chem Lett 12: 2291-4 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V3P
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50116666
PNG
(4-Methyl-3,6-dihydro-1H-pyridin-(2Z)-ylideneamine ...)
Show SMILES CC1=CC(N)=NCC1 |c:4,t:1|
Show InChI InChI=1S/C6H10N2/c1-5-2-3-8-6(7)4-5/h4H,2-3H2,1H3,(H2,7,8)
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n/an/a 200n/an/an/an/an/an/a



Fukui Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human endothelial Nitric Oxide Synthase expressed in Sf-21 cells


Bioorg Med Chem Lett 12: 2291-4 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V3P
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50116666
PNG
(4-Methyl-3,6-dihydro-1H-pyridin-(2Z)-ylideneamine ...)
Show SMILES CC1=CC(N)=NCC1 |c:4,t:1|
Show InChI InChI=1S/C6H10N2/c1-5-2-3-8-6(7)4-5/h4H,2-3H2,1H3,(H2,7,8)
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n/an/a 230n/an/an/an/an/an/a



Fukui Research Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit human Inducible nitric oxide synthase over expressed in A549 cells


Bioorg Med Chem Lett 12: 2291-4 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V3P
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50116676
PNG
(4,6-Dimethyl-5,6-dihydro-1H-pyridin-(2Z)-ylideneam...)
Show SMILES CC1CC(C)=CC(N)=N1 |c:4,7|
Show InChI InChI=1S/C7H12N2/c1-5-3-6(2)9-7(8)4-5/h4,6H,3H2,1-2H3,(H2,8,9)
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n/an/a 240n/an/an/an/an/an/a



Fukui Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human endothelial Nitric Oxide Synthase expressed in Sf-21 cells


Bioorg Med Chem Lett 12: 2291-4 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V3P
More data for this
Ligand-Target Pair
Glucagon receptor


(Rattus norvegicus)
BDBM50057813
PNG
(CHEMBL3326173)
Show SMILES Oc1ccc(cc1Br)C(=O)NNC(=O)c1occ(c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C24H17BrN2O4/c25-19-13-17(11-12-20(19)28)23(29)26-27-24(30)22-21(16-9-5-2-6-10-16)18(14-31-22)15-7-3-1-4-8-15/h1-14,28H,(H,26,29)(H,27,30)
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n/an/a 270n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from glucagon receptor in rat hepatocyte membranes after 30 mins by gamma-counting


Bioorg Med Chem Lett 24: 4266-70 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.025
BindingDB Entry DOI: 10.7270/Q2ZW1NK4
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50057796
PNG
(CHEMBL3326188)
Show SMILES CCCCCc1ccc(cc1)-c1ccoc1C(=O)NNC(=O)c1ccc(O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H23N3O6/c1-2-3-4-5-15-6-8-16(9-7-15)18-12-13-32-21(18)23(29)25-24-22(28)17-10-11-20(27)19(14-17)26(30)31/h6-14,27H,2-5H2,1H3,(H,24,28)(H,25,29)
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n/an/a 292n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of glucagon-induced glucagon receptor-mediated cAMP production in human hepatocytes after 15 mins by cAMP dynamic2 assay


Bioorg Med Chem Lett 24: 4266-70 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.025
BindingDB Entry DOI: 10.7270/Q2ZW1NK4
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50116673
PNG
(3,4-Dimethyl-5,6-dihydro-1H-pyridin-(2Z)-ylideneam...)
Show SMILES CC1=C(C)C(N)=NCC1 |c:1,5|
Show InChI InChI=1S/C7H12N2/c1-5-3-4-9-7(8)6(5)2/h3-4H2,1-2H3,(H2,8,9)
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n/an/a 310n/an/an/an/an/an/a



Fukui Research Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit human Inducible nitric oxide synthase over expressed in A549 cells


Bioorg Med Chem Lett 12: 2291-4 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V3P
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50116673
PNG
(3,4-Dimethyl-5,6-dihydro-1H-pyridin-(2Z)-ylideneam...)
Show SMILES CC1=C(C)C(N)=NCC1 |c:1,5|
Show InChI InChI=1S/C7H12N2/c1-5-3-4-9-7(8)6(5)2/h3-4H2,1-2H3,(H2,8,9)
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n/an/a 320n/an/an/an/an/an/a



Fukui Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human endothelial Nitric Oxide Synthase expressed in Sf-21 cells


Bioorg Med Chem Lett 12: 2291-4 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V3P
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50116674
PNG
(6-Allyl-4-methyl-5,6-dihydro-1H-pyridin-(2Z)-ylide...)
Show SMILES CC1=CC(N)=NC(CC=C)C1 |c:4,t:1|
Show InChI InChI=1S/C9H14N2/c1-3-4-8-5-7(2)6-9(10)11-8/h3,6,8H,1,4-5H2,2H3,(H2,10,11)
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n/an/a 360n/an/an/an/an/an/a



Fukui Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human endothelial Nitric Oxide Synthase expressed in Sf-21 cells


Bioorg Med Chem Lett 12: 2291-4 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V3P
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50116667
PNG
(4,5,5-Trimethyl-5,6-dihydro-1H-pyridin-(2Z)-yliden...)
Show SMILES CC1=CC(N)=NCC1(C)C |c:4,t:1|
Show InChI InChI=1S/C8H14N2/c1-6-4-7(9)10-5-8(6,2)3/h4H,5H2,1-3H3,(H2,9,10)
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n/an/a 420n/an/an/an/an/an/a



Fukui Research Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit human Inducible nitric oxide synthase over expressed in A549 cells


Bioorg Med Chem Lett 12: 2291-4 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V3P
More data for this
Ligand-Target Pair
Glucagon receptor


(Rattus norvegicus)
BDBM50057806
PNG
(CHEMBL3326172)
Show SMILES Oc1ccc(cc1Cl)C(=O)NNC(=O)c1occ(c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C24H17ClN2O4/c25-19-13-17(11-12-20(19)28)23(29)26-27-24(30)22-21(16-9-5-2-6-10-16)18(14-31-22)15-7-3-1-4-8-15/h1-14,28H,(H,26,29)(H,27,30)
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n/an/a 430n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from glucagon receptor in rat hepatocyte membranes after 30 mins by gamma-counting


Bioorg Med Chem Lett 24: 4266-70 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.025
BindingDB Entry DOI: 10.7270/Q2ZW1NK4
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50116666
PNG
(4-Methyl-3,6-dihydro-1H-pyridin-(2Z)-ylideneamine ...)
Show SMILES CC1=CC(N)=NCC1 |c:4,t:1|
Show InChI InChI=1S/C6H10N2/c1-5-2-3-8-6(7)4-5/h4H,2-3H2,1H3,(H2,7,8)
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n/an/a 440n/an/an/an/an/an/a



Fukui Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human endothelial Nitric Oxide Synthase expressed in Sf-21 cells


Bioorg Med Chem Lett 12: 2291-4 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V3P
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50116670
PNG
((4aR,7aR)-4-Methyl-1,4a,5,6,7,7a-hexahydro-[1]pyri...)
Show SMILES CC1=CC(N)=N[C@@H]2CCC[C@H]12 |c:4,t:1|
Show InChI InChI=1S/C9H14N2/c1-6-5-9(10)11-8-4-2-3-7(6)8/h5,7-8H,2-4H2,1H3,(H2,10,11)/t7-,8-/m1/s1
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n/an/a 510n/an/an/an/an/an/a



Fukui Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human endothelial Nitric Oxide Synthase expressed in Sf-21 cells


Bioorg Med Chem Lett 12: 2291-4 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V3P
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50116675
PNG
(4,5-Dimethyl-5,6-dihydro-1H-pyridin-(2Z)-ylideneam...)
Show SMILES CC1CN=C(N)C=C1C |c:6,t:3|
Show InChI InChI=1S/C7H12N2/c1-5-3-7(8)9-4-6(5)2/h3,6H,4H2,1-2H3,(H2,8,9)
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n/an/a 510n/an/an/an/an/an/a



Fukui Research Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit Inducible nitric oxide synthase over expressed in A549 cells


Bioorg Med Chem Lett 12: 2291-4 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V3P
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50116675
PNG
(4,5-Dimethyl-5,6-dihydro-1H-pyridin-(2Z)-ylideneam...)
Show SMILES CC1CN=C(N)C=C1C |c:6,t:3|
Show InChI InChI=1S/C7H12N2/c1-5-3-7(8)9-4-6(5)2/h3,6H,4H2,1-2H3,(H2,8,9)
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n/an/a 520n/an/an/an/an/an/a



Fukui Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human endothelial Nitric Oxide Synthase expressed in Sf-21 cells


Bioorg Med Chem Lett 12: 2291-4 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V3P
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50116668
PNG
(4-Methyl-6-propyl-5,6-dihydro-1H-pyridin-(2Z)-ylid...)
Show SMILES CCCC1CC(C)=CC(N)=N1 |c:6,9|
Show InChI InChI=1S/C9H16N2/c1-3-4-8-5-7(2)6-9(10)11-8/h6,8H,3-5H2,1-2H3,(H2,10,11)
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n/an/a 580n/an/an/an/an/an/a



Fukui Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human endothelial Nitric Oxide Synthase expressed in Sf-21 cells


Bioorg Med Chem Lett 12: 2291-4 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V3P
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50116666
PNG
(4-Methyl-3,6-dihydro-1H-pyridin-(2Z)-ylideneamine ...)
Show SMILES CC1=CC(N)=NCC1 |c:4,t:1|
Show InChI InChI=1S/C6H10N2/c1-5-2-3-8-6(7)4-5/h4H,2-3H2,1H3,(H2,7,8)
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n/an/a 700n/an/an/an/an/an/a



Fukui Research Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit human Inducible nitric oxide synthase over expressed in A549 cells


Bioorg Med Chem Lett 12: 2291-4 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V3P
More data for this
Ligand-Target Pair
Glucagon receptor


(Rattus norvegicus)
BDBM50057798
PNG
(CHEMBL3326170)
Show SMILES Oc1ccc(cn1)C(=O)NNC(=O)c1occ(c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H17N3O4/c27-19-12-11-17(13-24-19)22(28)25-26-23(29)21-20(16-9-5-2-6-10-16)18(14-30-21)15-7-3-1-4-8-15/h1-14H,(H,24,27)(H,25,28)(H,26,29)
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n/an/a 970n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from glucagon receptor in rat hepatocyte membranes after 30 mins by gamma-counting


Bioorg Med Chem Lett 24: 4266-70 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.025
BindingDB Entry DOI: 10.7270/Q2ZW1NK4
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50057796
PNG
(CHEMBL3326188)
Show SMILES CCCCCc1ccc(cc1)-c1ccoc1C(=O)NNC(=O)c1ccc(O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H23N3O6/c1-2-3-4-5-15-6-8-16(9-7-15)18-12-13-32-21(18)23(29)25-24-22(28)17-10-11-20(27)19(14-17)26(30)31/h6-14,27H,2-5H2,1H3,(H,24,28)(H,25,29)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of GLP-1R (unknown origin)


Bioorg Med Chem Lett 24: 4266-70 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.025
BindingDB Entry DOI: 10.7270/Q2ZW1NK4
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50057796
PNG
(CHEMBL3326188)
Show SMILES CCCCCc1ccc(cc1)-c1ccoc1C(=O)NNC(=O)c1ccc(O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H23N3O6/c1-2-3-4-5-15-6-8-16(9-7-15)18-12-13-32-21(18)23(29)25-24-22(28)17-10-11-20(27)19(14-17)26(30)31/h6-14,27H,2-5H2,1H3,(H,24,28)(H,25,29)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 24: 4266-70 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.025
BindingDB Entry DOI: 10.7270/Q2ZW1NK4
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50237936
PNG
(4-Ethyl-5,6-dihydro-1H-pyridin-(2Z)-ylideneamine |...)
Show SMILES CCC1=CC(N)=NCC1 |c:5,t:2|
Show InChI InChI=1S/C7H12N2/c1-2-6-3-4-9-7(8)5-6/h5H,2-4H2,1H3,(H2,8,9)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Fukui Research Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit human Inducible nitric oxide synthase over expressed in A549 cells


Bioorg Med Chem Lett 12: 2291-4 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V3P
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50116677
PNG
((4aR,8aR)-4-Methyl-4a,5,6,7,8,8a-hexahydro-1H-quin...)
Show SMILES CC1=CC(N)=N[C@@H]2CCCC[C@H]12 |c:4,t:1|
Show InChI InChI=1S/C10H16N2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h6,8-9H,2-5H2,1H3,(H2,11,12)/t8-,9-/m1/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Fukui Research Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit human Inducible nitric oxide synthase over expressed in A549 cells


Bioorg Med Chem Lett 12: 2291-4 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V3P
More data for this
Ligand-Target Pair
Glucagon receptor


(Rattus norvegicus)
BDBM50057800
PNG
(CHEMBL3326171)
Show SMILES Oc1ccc(cc1F)C(=O)NNC(=O)c1occ(c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C24H17FN2O4/c25-19-13-17(11-12-20(19)28)23(29)26-27-24(30)22-21(16-9-5-2-6-10-16)18(14-31-22)15-7-3-1-4-8-15/h1-14,28H,(H,26,29)(H,27,30)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from glucagon receptor in rat hepatocyte membranes after 30 mins by gamma-counting


Bioorg Med Chem Lett 24: 4266-70 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.025
BindingDB Entry DOI: 10.7270/Q2ZW1NK4
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50237936
PNG
(4-Ethyl-5,6-dihydro-1H-pyridin-(2Z)-ylideneamine |...)
Show SMILES CCC1=CC(N)=NCC1 |c:5,t:2|
Show InChI InChI=1S/C7H12N2/c1-2-6-3-4-9-7(8)5-6/h5H,2-4H2,1H3,(H2,8,9)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Fukui Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human endothelial Nitric Oxide Synthase expressed in Sf-21 cells


Bioorg Med Chem Lett 12: 2291-4 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V3P
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50116667
PNG
(4,5,5-Trimethyl-5,6-dihydro-1H-pyridin-(2Z)-yliden...)
Show SMILES CC1=CC(N)=NCC1(C)C |c:4,t:1|
Show InChI InChI=1S/C8H14N2/c1-6-4-7(9)10-5-8(6,2)3/h4H,5H2,1-3H3,(H2,9,10)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Fukui Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human endothelial Nitric Oxide Synthase expressed in Sf-21 cells


Bioorg Med Chem Lett 12: 2291-4 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V3P
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50116669
PNG
(5,5-Dimethyl-5,6-dihydro-1H-pyridin-(2Z)-ylideneam...)
Show SMILES CC1(C)CN=C(N)C=C1 |c:7,t:4|
Show InChI InChI=1S/C7H12N2/c1-7(2)4-3-6(8)9-5-7/h3-4H,5H2,1-2H3,(H2,8,9)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Fukui Research Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit human Inducible nitric oxide synthase over expressed in A549 cells


Bioorg Med Chem Lett 12: 2291-4 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V3P
More data for this
Ligand-Target Pair
Glucagon receptor


(Rattus norvegicus)
BDBM50057864
PNG
(CHEMBL3325456)
Show SMILES CCCc1ccc(cc1)-c1ccoc1C(=O)NNC(=O)c1ccc(O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C21H19N3O6/c1-2-3-13-4-6-14(7-5-13)16-10-11-30-19(16)21(27)23-22-20(26)15-8-9-18(25)17(12-15)24(28)29/h4-12,25H,2-3H2,1H3,(H,22,26)(H,23,27)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from glucagon receptor in rat hepatocyte membranes after 30 mins by gamma-counting


Bioorg Med Chem Lett 24: 4266-70 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.025
BindingDB Entry DOI: 10.7270/Q2ZW1NK4
More data for this
Ligand-Target Pair
Glucagon receptor


(Rattus norvegicus)
BDBM50057817
PNG
(CHEMBL3326187)
Show SMILES CCCCc1ccc(cc1)-c1ccoc1C(=O)NNC(=O)c1ccc(O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C22H21N3O6/c1-2-3-4-14-5-7-15(8-6-14)17-11-12-31-20(17)22(28)24-23-21(27)16-9-10-19(26)18(13-16)25(29)30/h5-13,26H,2-4H2,1H3,(H,23,27)(H,24,28)
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n/an/a 5.50E+3n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from glucagon receptor in rat hepatocyte membranes after 30 mins by gamma-counting


Bioorg Med Chem Lett 24: 4266-70 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.025
BindingDB Entry DOI: 10.7270/Q2ZW1NK4
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50116677
PNG
((4aR,8aR)-4-Methyl-4a,5,6,7,8,8a-hexahydro-1H-quin...)
Show SMILES CC1=CC(N)=N[C@@H]2CCCC[C@H]12 |c:4,t:1|
Show InChI InChI=1S/C10H16N2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h6,8-9H,2-5H2,1H3,(H2,11,12)/t8-,9-/m1/s1
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n/an/a 7.40E+3n/an/an/an/an/an/a



Fukui Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human endothelial Nitric Oxide Synthase expressed in Sf-21 cells


Bioorg Med Chem Lett 12: 2291-4 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V3P
More data for this
Ligand-Target Pair
Glucagon receptor


(Rattus norvegicus)
BDBM50057797
PNG
(CHEMBL3326165)
Show SMILES Oc1ccc(cc1)C(=O)NNC(=O)c1occ(c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C24H18N2O4/c27-19-13-11-18(12-14-19)23(28)25-26-24(29)22-21(17-9-5-2-6-10-17)20(15-30-22)16-7-3-1-4-8-16/h1-15,27H,(H,25,28)(H,26,29)
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n/an/a 9.50E+3n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from glucagon receptor in rat hepatocyte membranes after 30 mins by gamma-counting


Bioorg Med Chem Lett 24: 4266-70 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.025
BindingDB Entry DOI: 10.7270/Q2ZW1NK4
More data for this
Ligand-Target Pair
Glucagon receptor


(Rattus norvegicus)
BDBM50057825
PNG
(CHEMBL3326176)
Show SMILES COc1cc(ccc1O)C(=O)NNC(=O)c1occ(c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C25H20N2O5/c1-31-21-14-18(12-13-20(21)28)24(29)26-27-25(30)23-22(17-10-6-3-7-11-17)19(15-32-23)16-8-4-2-5-9-16/h2-15,28H,1H3,(H,26,29)(H,27,30)
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n/an/a 9.50E+3n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from glucagon receptor in rat hepatocyte membranes after 30 mins by gamma-counting


Bioorg Med Chem Lett 24: 4266-70 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.025
BindingDB Entry DOI: 10.7270/Q2ZW1NK4
More data for this
Ligand-Target Pair
Glucagon receptor


(Rattus norvegicus)
BDBM50057796
PNG
(CHEMBL3326188)
Show SMILES CCCCCc1ccc(cc1)-c1ccoc1C(=O)NNC(=O)c1ccc(O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H23N3O6/c1-2-3-4-5-15-6-8-16(9-7-15)18-12-13-32-21(18)23(29)25-24-22(28)17-10-11-20(27)19(14-17)26(30)31/h6-14,27H,2-5H2,1H3,(H,24,28)(H,25,29)
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n/an/a 9.60E+3n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from glucagon receptor in rat hepatocyte membranes after 30 mins by gamma-counting


Bioorg Med Chem Lett 24: 4266-70 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.025
BindingDB Entry DOI: 10.7270/Q2ZW1NK4
More data for this
Ligand-Target Pair
Glucagon receptor


(Rattus norvegicus)
BDBM50057831
PNG
(CHEMBL3326177)
Show SMILES Oc1ccc(cc1-c1ccccc1)C(=O)NNC(=O)c1occ(c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C30H22N2O4/c33-26-17-16-23(18-24(26)20-10-4-1-5-11-20)29(34)31-32-30(35)28-27(22-14-8-3-9-15-22)25(19-36-28)21-12-6-2-7-13-21/h1-19,33H,(H,31,34)(H,32,35)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from glucagon receptor in rat hepatocyte membranes after 30 mins by gamma-counting


Bioorg Med Chem Lett 24: 4266-70 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.025
BindingDB Entry DOI: 10.7270/Q2ZW1NK4
More data for this
Ligand-Target Pair
Glucagon receptor


(Rattus norvegicus)
BDBM50058003
PNG
(CHEMBL3326186)
Show SMILES CC(C)c1ccc(cc1)-c1ccoc1C(=O)NNC(=O)c1ccc(O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C21H19N3O6/c1-12(2)13-3-5-14(6-4-13)16-9-10-30-19(16)21(27)23-22-20(26)15-7-8-18(25)17(11-15)24(28)29/h3-12,25H,1-2H3,(H,22,26)(H,23,27)
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n/an/a 2.40E+4n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from glucagon receptor in rat hepatocyte membranes after 30 mins by gamma-counting


Bioorg Med Chem Lett 24: 4266-70 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.025
BindingDB Entry DOI: 10.7270/Q2ZW1NK4
More data for this
Ligand-Target Pair
Glucagon receptor


(Rattus norvegicus)
BDBM50057859
PNG
(CHEMBL3326181)
Show SMILES Cc1ccc(cc1)-c1ccoc1C(=O)NNC(=O)c1ccc(O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C19H15N3O6/c1-11-2-4-12(5-3-11)14-8-9-28-17(14)19(25)21-20-18(24)13-6-7-16(23)15(10-13)22(26)27/h2-10,23H,1H3,(H,20,24)(H,21,25)
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n/an/a 2.70E+4n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from glucagon receptor in rat hepatocyte membranes after 30 mins by gamma-counting


Bioorg Med Chem Lett 24: 4266-70 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.025
BindingDB Entry DOI: 10.7270/Q2ZW1NK4
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50116669
PNG
(5,5-Dimethyl-5,6-dihydro-1H-pyridin-(2Z)-ylideneam...)
Show SMILES CC1(C)CN=C(N)C=C1 |c:7,t:4|
Show InChI InChI=1S/C7H12N2/c1-7(2)4-3-6(8)9-5-7/h3-4H,5H2,1-2H3,(H2,8,9)
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antibodypedia
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n/an/a 3.10E+4n/an/an/an/an/an/a



Fukui Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human endothelial Nitric Oxide Synthase expressed in Sf-21 cells


Bioorg Med Chem Lett 12: 2291-4 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V3P
More data for this
Ligand-Target Pair
Glucagon receptor


(Rattus norvegicus)
BDBM50057863
PNG
(CHEMBL3326185)
Show SMILES CCc1ccc(cc1)-c1ccoc1C(=O)NNC(=O)c1ccc(O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C20H17N3O6/c1-2-12-3-5-13(6-4-12)15-9-10-29-18(15)20(26)22-21-19(25)14-7-8-17(24)16(11-14)23(27)28/h3-11,24H,2H2,1H3,(H,21,25)(H,22,26)
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n/an/a 4.40E+4n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from glucagon receptor in rat hepatocyte membranes after 30 mins by gamma-counting


Bioorg Med Chem Lett 24: 4266-70 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.025
BindingDB Entry DOI: 10.7270/Q2ZW1NK4
More data for this
Ligand-Target Pair
Glucagon receptor


(Rattus norvegicus)
BDBM50057861
PNG
(CHEMBL3326183)
Show SMILES Oc1ccc(cc1[N+]([O-])=O)C(=O)NNC(=O)c1occc1-c1ccc(F)cc1
Show InChI InChI=1S/C18H12FN3O6/c19-12-4-1-10(2-5-12)13-7-8-28-16(13)18(25)21-20-17(24)11-3-6-15(23)14(9-11)22(26)27/h1-9,23H,(H,20,24)(H,21,25)
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n/an/a 6.90E+4n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from glucagon receptor in rat hepatocyte membranes after 30 mins by gamma-counting


Bioorg Med Chem Lett 24: 4266-70 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.025
BindingDB Entry DOI: 10.7270/Q2ZW1NK4
More data for this
Ligand-Target Pair
Glucagon receptor


(Rattus norvegicus)
BDBM50057834
PNG
(CHEMBL3326178)
Show SMILES Oc1ccc(cc1[N+]([O-])=O)C(=O)NNC(=O)c1occc1-c1ccccc1
Show InChI InChI=1S/C18H13N3O6/c22-15-7-6-12(10-14(15)21(25)26)17(23)19-20-18(24)16-13(8-9-27-16)11-4-2-1-3-5-11/h1-10,22H,(H,19,23)(H,20,24)
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n/an/a 8.90E+4n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]glucagon from glucagon receptor in rat hepatocyte membranes after 30 mins by gamma-counting


Bioorg Med Chem Lett 24: 4266-70 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.025
BindingDB Entry DOI: 10.7270/Q2ZW1NK4
More data for this
Ligand-Target Pair
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