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16 similar compounds to monomer 13336

Wt: 361.4
BDBM50075778
Purchase
Wt: 423.5
BDBM50217605
Wt: 485.5
BDBM50217606
Wt: 409.5
BDBM50217610
Wt: 391.4
BDBM50284492
Wt: 427.4
BDBM50284495
Wt: 393.4
BDBM50284506
Purchase
Wt: 409.5
BDBM50403375
Wt: 393.8
BDBM50403376
Wt: 377.4
BDBM50403379
Wt: 393.4
BDBM50403382
Wt: 361.4
BDBM50403393
Wt: 393.4
BDBM50403395
Wt: 394.4
BDBM50403407
Wt: 391.4
BDBM50403408
Displayed 1 to 15 (of 16 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 25 hits for monomerid = 50075778,50217605,50217606,50217610,50284492,50284495,50284506,50403375,50403376,50403379,50403382,50403393,50403395,50403407,50403408   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50075778
PNG
(4-[5-(4-Fluoro-phenyl)-2-(4-methylsulfanyl-phenyl)...)
Show SMILES CSc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H16FN3S/c1-26-18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
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n/an/a 117n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against p38-alpha kinase


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
MAP kinase p38


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50075778
PNG
(4-[5-(4-Fluoro-phenyl)-2-(4-methylsulfanyl-phenyl)...)
Show SMILES CSc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H16FN3S/c1-26-18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
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n/an/a 120n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Mitogen-activated protein kinase p38 expressed as IC50


Citation and Details
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50075778
PNG
(4-[5-(4-Fluoro-phenyl)-2-(4-methylsulfanyl-phenyl)...)
Show SMILES CSc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H16FN3S/c1-26-18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
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n/an/a 490n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human glucagon receptor in absence of Mg2+ expressed as IC50


Citation and Details
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (human))
BDBM50217606
PNG
(4-(2-(4-(methylsulfinyl)phenyl)-4-(6-phenylnaphtha...)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2cc(ccc2c1)-c1ccccc1)-c1ccncc1
Show InChI InChI=1S/C31H23N3OS/c1-36(35)28-13-11-23(12-14-28)31-33-29(22-15-17-32-18-16-22)30(34-31)27-10-9-25-19-24(7-8-26(25)20-27)21-5-3-2-4-6-21/h2-20H,1H3,(H,33,34)
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n/an/a 5.50E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Tie2 kinase by autophosphorylation assay


Bioorg Med Chem Lett 17: 4756-60 (2007)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (human))
BDBM50217605
PNG
(4-(4-(6-methylnaphthalen-2-yl)-2-(4-(methylsulfiny...)
Show SMILES Cc1ccc2cc(ccc2c1)-c1[nH]c(nc1-c1ccncc1)-c1ccc(cc1)S(C)=O
Show InChI InChI=1S/C26H21N3OS/c1-17-3-4-21-16-22(6-5-20(21)15-17)25-24(18-11-13-27-14-12-18)28-26(29-25)19-7-9-23(10-8-19)31(2)30/h3-16H,1-2H3,(H,28,29)
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n/an/a 219n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Tie2 kinase by autophosphorylation assay


Bioorg Med Chem Lett 17: 4756-60 (2007)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (human))
BDBM50217610
PNG
(4-(2-(4-(methylsulfinyl)phenyl)-4-(naphthalen-2-yl...)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2ccccc2c1)-c1ccncc1
Show InChI InChI=1S/C25H19N3OS/c1-30(29)22-10-8-19(9-11-22)25-27-23(18-12-14-26-15-13-18)24(28-25)21-7-6-17-4-2-3-5-20(17)16-21/h2-16H,1H3,(H,27,28)
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n/an/a 300n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Tie2 kinase by autophosphorylation assay


Bioorg Med Chem Lett 17: 4756-60 (2007)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50284492
PNG
(4-[5-(4-Fluoro-phenyl)-2-(4-methanesulfinyl-phenyl...)
Show SMILES Cc1cnccc1-c1nc([nH]c1-c1ccc(F)cc1)-c1ccc(cc1)S(C)=O
Show InChI InChI=1S/C22H18FN3OS/c1-14-13-24-12-11-19(14)21-20(15-3-7-17(23)8-4-15)25-22(26-21)16-5-9-18(10-6-16)28(2)27/h3-13H,1-2H3,(H,25,26)
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n/an/a 2.30E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase enzyme from RBL-1 cells


Bioorg Med Chem Lett 5: 1171-1176 (1995)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50284495
PNG
(4-[5-(4-Fluoro-phenyl)-2-(4-methanesulfinyl-phenyl...)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc2ccccc12
Show InChI InChI=1S/C25H18FN3OS/c1-31(30)19-12-8-17(9-13-19)25-28-23(16-6-10-18(26)11-7-16)24(29-25)21-14-15-27-22-5-3-2-4-20(21)22/h2-15H,1H3,(H,28,29)
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n/an/a 7.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase enzyme from RBL-1 cells


Bioorg Med Chem Lett 5: 1171-1176 (1995)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50075778
PNG
(4-[5-(4-Fluoro-phenyl)-2-(4-methylsulfanyl-phenyl)...)
Show SMILES CSc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H16FN3S/c1-26-18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
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n/an/a 2.70E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase enzyme from RBL-1 cells


Bioorg Med Chem Lett 5: 1171-1176 (1995)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50284506
PNG
(4-[5-(4-Fluoro-phenyl)-2-(4-methanesulfonyl-phenyl...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H16FN3O2S/c1-28(26,27)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
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n/an/a 2.40E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase enzyme from RBL-1 cells


Bioorg Med Chem Lett 5: 1171-1176 (1995)

More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50075778
PNG
(4-[5-(4-Fluoro-phenyl)-2-(4-methylsulfanyl-phenyl)...)
Show SMILES CSc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H16FN3S/c1-26-18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
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n/an/a 117n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human glucagon receptor


Citation and Details
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50403375
PNG
(CHEMBL276114)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1cccc2ccccc12)-c1ccncc1
Show InChI InChI=1S/C25H19N3OS/c1-30(29)20-11-9-19(10-12-20)25-27-23(18-13-15-26-16-14-18)24(28-25)22-8-4-6-17-5-2-3-7-21(17)22/h2-16H,1H3,(H,27,28)
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n/an/a 650n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against interleukin-1(IL-1) synthesis, using intact human monocytes


Bioorg Med Chem Lett 5: 1171-1176 (1995)

More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50403376
PNG
(CHEMBL17389)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1cccc(Cl)c1)-c1ccncc1
Show InChI InChI=1S/C21H16ClN3OS/c1-27(26)18-7-5-15(6-8-18)21-24-19(14-9-11-23-12-10-14)20(25-21)16-3-2-4-17(22)13-16/h2-13H,1H3,(H,24,25)
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n/an/a 80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against interleukin-1(IL-1) synthesis, using intact human monocytes


Bioorg Med Chem Lett 5: 1171-1176 (1995)

More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50403379
PNG
(CHEMBL277587)
Show SMILES CS(=O)c1ccccc1-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H16FN3OS/c1-27(26)18-5-3-2-4-17(18)21-24-19(14-6-8-16(22)9-7-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
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n/an/a 710n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against interleukin-1(IL-1) synthesis, using intact human monocytes


Bioorg Med Chem Lett 5: 1171-1176 (1995)

More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50403382
PNG
(CHEMBL17273)
Show SMILES CS(=O)(=O)c1cccc(c1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H16FN3O2S/c1-28(26,27)18-4-2-3-16(13-18)21-24-19(14-5-7-17(22)8-6-14)20(25-21)15-9-11-23-12-10-15/h2-13H,1H3,(H,24,25)
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n/an/a 620n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against interleukin-1(IL-1) synthesis, using intact human monocytes


Bioorg Med Chem Lett 5: 1171-1176 (1995)

More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50284495
PNG
(4-[5-(4-Fluoro-phenyl)-2-(4-methanesulfinyl-phenyl...)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc2ccccc12
Show InChI InChI=1S/C25H18FN3OS/c1-31(30)19-12-8-17(9-13-19)25-28-23(16-6-10-18(26)11-7-16)24(29-25)21-14-15-27-22-5-3-2-4-20(21)22/h2-15H,1H3,(H,28,29)
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n/an/a 710n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against interleukin-1(IL-1) synthesis, using intact human monocytes


Bioorg Med Chem Lett 5: 1171-1176 (1995)

More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50217610
PNG
(4-(2-(4-(methylsulfinyl)phenyl)-4-(naphthalen-2-yl...)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2ccccc2c1)-c1ccncc1
Show InChI InChI=1S/C25H19N3OS/c1-30(29)22-10-8-19(9-11-22)25-27-23(18-12-14-26-15-13-18)24(28-25)21-7-6-17-4-2-3-5-20(17)16-21/h2-16H,1H3,(H,27,28)
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n/an/a 770n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against interleukin-1(IL-1) synthesis, using intact human monocytes


Bioorg Med Chem Lett 5: 1171-1176 (1995)

More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50403393
PNG
(CHEMBL17641)
Show SMILES CSc1cccc(c1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H16FN3S/c1-26-18-4-2-3-16(13-18)21-24-19(14-5-7-17(22)8-6-14)20(25-21)15-9-11-23-12-10-15/h2-13H,1H3,(H,24,25)
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n/an/a 930n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against interleukin-1(IL-1) synthesis, using intact human monocytes


Bioorg Med Chem Lett 5: 1171-1176 (1995)

More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50403395
PNG
(CHEMBL17792)
Show SMILES CS(=O)(=O)c1ccccc1-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H16FN3O2S/c1-28(26,27)18-5-3-2-4-17(18)21-24-19(14-6-8-16(22)9-7-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
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n/an/a 740n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against interleukin-1(IL-1) synthesis, using intact human monocytes


Bioorg Med Chem Lett 5: 1171-1176 (1995)

More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50075778
PNG
(4-[5-(4-Fluoro-phenyl)-2-(4-methylsulfanyl-phenyl)...)
Show SMILES CSc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H16FN3S/c1-26-18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
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n/an/a 580n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against interleukin-1(IL-1) synthesis, using intact human monocytes


Bioorg Med Chem Lett 5: 1171-1176 (1995)

More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50284506
PNG
(4-[5-(4-Fluoro-phenyl)-2-(4-methanesulfonyl-phenyl...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H16FN3O2S/c1-28(26,27)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
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n/an/a 200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against interleukin-1(IL-1) synthesis, using intact human monocytes


Bioorg Med Chem Lett 5: 1171-1176 (1995)

More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50284492
PNG
(4-[5-(4-Fluoro-phenyl)-2-(4-methanesulfinyl-phenyl...)
Show SMILES Cc1cnccc1-c1nc([nH]c1-c1ccc(F)cc1)-c1ccc(cc1)S(C)=O
Show InChI InChI=1S/C22H18FN3OS/c1-14-13-24-12-11-19(14)21-20(15-3-7-17(23)8-4-15)25-22(26-21)16-5-9-18(10-6-16)28(2)27/h3-13H,1-2H3,(H,25,26)
PDB
MMDB

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Article
n/an/a 430n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against interleukin-1(IL-1) synthesis, using intact human monocytes


Bioorg Med Chem Lett 5: 1171-1176 (1995)

More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50403407
PNG
(CHEMBL17210)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C20H15FN4O2S/c21-16-5-1-13(2-6-16)18-19(14-9-11-23-12-10-14)25-20(24-18)15-3-7-17(8-4-15)28(22,26)27/h1-12H,(H,24,25)(H2,22,26,27)
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n/an/a 50n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against interleukin-1(IL-1) synthesis, using intact human monocytes


Bioorg Med Chem Lett 5: 1171-1176 (1995)

More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50403408
PNG
(CHEMBL275365)
Show SMILES Cn1c(nc(c1-c1ccncc1)-c1ccc(F)cc1)-c1ccc(cc1)S(C)=O
Show InChI InChI=1S/C22H18FN3OS/c1-26-21(16-11-13-24-14-12-16)20(15-3-7-18(23)8-4-15)25-22(26)17-5-9-19(10-6-17)28(2)27/h3-14H,1-2H3
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Article
n/an/a 650n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against interleukin-1(IL-1) synthesis, using intact human monocytes


Bioorg Med Chem Lett 5: 1171-1176 (1995)

More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50075778
PNG
(4-[5-(4-Fluoro-phenyl)-2-(4-methylsulfanyl-phenyl)...)
Show SMILES CSc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H16FN3S/c1-26-18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
PDB
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PubMed
n/an/a 490n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity determined by reduction in binding of 125 I-glucagon to the human glucagon receptor expressed on CHO cells in absence of Mg+2


Citation and Details
More data for this
Ligand-Target Pair