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2 similar compounds to monomer 15237

Compile data set for download or QSAR
Wt: 279.3
BDBM50053430
Wt: 322.3
BDBM50099331

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50053430,50099331   
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))
BDBM50099331
PNG
(4-(4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidaz...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccncc1
Show InChI InChI=1S/C19H19FN4/c20-16-3-1-14(2-4-16)18-19(15-5-9-21-10-6-15)24(13-23-18)17-7-11-22-12-8-17/h1-6,9-10,13,17,22H,7-8,11-12H2
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60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of p38alpha kinase


ACS Med Chem Lett 2: 758-763 (2011)


Article DOI: 10.1021/ml2001455
BindingDB Entry DOI: 10.7270/Q26D5V19
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50053430
PNG
(4-[3-Cyclopropyl-5-(4-fluoro-phenyl)-3H-imidazol-4...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CC2)c1-c1ccncc1
Show InChI InChI=1S/C17H14FN3/c18-14-3-1-12(2-4-14)16-17(13-7-9-19-10-8-13)21(11-20-16)15-5-6-15/h1-4,7-11,15H,5-6H2
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n/an/a 1.60E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Prostaglandin H2 synthase 1 (PGHS-1) from ram seminal vesicle


J Med Chem 39: 3929-37 (1996)


Article DOI: 10.1021/jm960415o
BindingDB Entry DOI: 10.7270/Q29W0G4Z
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50053430
PNG
(4-[3-Cyclopropyl-5-(4-fluoro-phenyl)-3H-imidazol-4...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CC2)c1-c1ccncc1
Show InChI InChI=1S/C17H14FN3/c18-14-3-1-12(2-4-14)16-17(13-7-9-19-10-8-13)21(11-20-16)15-5-6-15/h1-4,7-11,15H,5-6H2
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n/an/a 6.00E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against 5-lipoxygenase in rat RBL-1 cells


J Med Chem 39: 3929-37 (1996)


Article DOI: 10.1021/jm960415o
BindingDB Entry DOI: 10.7270/Q29W0G4Z
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50099331
PNG
(4-(4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidaz...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccncc1
Show InChI InChI=1S/C19H19FN4/c20-16-3-1-14(2-4-16)18-19(15-5-9-21-10-6-15)24(13-23-18)17-7-11-22-12-8-17/h1-6,9-10,13,17,22H,7-8,11-12H2
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n/an/a 38n/an/an/an/an/an/a



Leo Pharma A/S

Curated by ChEMBL


Assay Description
In vitro inhibitory activity determined against human mitogen-activated protein kinase p38 alpha


J Med Chem 46: 5651-62 (2003)


Article DOI: 10.1021/jm030851s
BindingDB Entry DOI: 10.7270/Q2B56KFK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50099331
PNG
(4-(4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidaz...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccncc1
Show InChI InChI=1S/C19H19FN4/c20-16-3-1-14(2-4-16)18-19(15-5-9-21-10-6-15)24(13-23-18)17-7-11-22-12-8-17/h1-6,9-10,13,17,22H,7-8,11-12H2
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n/an/an/a 12n/an/an/a7.6n/a



Vertex Pharmaceuticals Inc



Assay Description
Activation of p38 kinase assay was measured by fluorescence emission using a Perkin-Elmer LS 50B fluorimeter.


Chem Biol 4: 423-31 (1997)


Article DOI: 10.1016/j.bmc.2003.11.015
BindingDB Entry DOI: 10.7270/Q2S75DQF
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50099331
PNG
(4-(4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidaz...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccncc1
Show InChI InChI=1S/C19H19FN4/c20-16-3-1-14(2-4-16)18-19(15-5-9-21-10-6-15)24(13-23-18)17-7-11-22-12-8-17/h1-6,9-10,13,17,22H,7-8,11-12H2
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n/an/a 60n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 11: 1123-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00163-9
BindingDB Entry DOI: 10.7270/Q2028QTS
More data for this
Ligand-Target Pair
3D
3D Structure (docked)