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BDBM50329202 5-(4-cyanophenyl)-N-(3,5-dimethylphenyl)nicotinamide::CHEMBL1271309

SMILES: Cc1cc(C)cc(NC(=O)c2cncc(c2)-c2ccc(cc2)C#N)c1

InChI Key: InChIKey=VAOBPPDVUDDCKB-UHFFFAOYSA-N

Data: 8 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50329202   
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
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50329202
PNG
(5-(4-cyanophenyl)-N-(3,5-dimethylphenyl)nicotinami...)
Show SMILES Cc1cc(C)cc(NC(=O)c2cncc(c2)-c2ccc(cc2)C#N)c1
Show InChI InChI=1S/C21H17N3O/c1-14-7-15(2)9-20(8-14)24-21(25)19-10-18(12-23-13-19)17-5-3-16(11-22)4-6-17/h3-10,12-13H,1-2H3,(H,24,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TRPV1


Bioorg Med Chem Lett 20: 6812-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.121
BindingDB Entry DOI: 10.7270/Q2F76CS6
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv7.2/Kv7.3


(Homo sapiens (Human))
BDBM50329202
PNG
(5-(4-cyanophenyl)-N-(3,5-dimethylphenyl)nicotinami...)
Show SMILES Cc1cc(C)cc(NC(=O)c2cncc(c2)-c2ccc(cc2)C#N)c1
Show InChI InChI=1S/C21H17N3O/c1-14-7-15(2)9-20(8-14)24-21(25)19-10-18(12-23-13-19)17-5-3-16(11-22)4-6-17/h3-10,12-13H,1-2H3,(H,24,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KCNQ2/Q3


Bioorg Med Chem Lett 20: 6812-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.121
BindingDB Entry DOI: 10.7270/Q2F76CS6
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50329202
PNG
(5-(4-cyanophenyl)-N-(3,5-dimethylphenyl)nicotinami...)
Show SMILES Cc1cc(C)cc(NC(=O)c2cncc(c2)-c2ccc(cc2)C#N)c1
Show InChI InChI=1S/C21H17N3O/c1-14-7-15(2)9-20(8-14)24-21(25)19-10-18(12-23-13-19)17-5-3-16(11-22)4-6-17/h3-10,12-13H,1-2H3,(H,24,25)
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n/an/a 1.60E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG by Isotopic flux assay


Bioorg Med Chem Lett 20: 6812-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.121
BindingDB Entry DOI: 10.7270/Q2F76CS6
More data for this
Ligand-Target Pair
Sodium channel protein type X alpha subunit


(Mus musculus)
BDBM50329202
PNG
(5-(4-cyanophenyl)-N-(3,5-dimethylphenyl)nicotinami...)
Show SMILES Cc1cc(C)cc(NC(=O)c2cncc(c2)-c2ccc(cc2)C#N)c1
Show InChI InChI=1S/C21H17N3O/c1-14-7-15(2)9-20(8-14)24-21(25)19-10-18(12-23-13-19)17-5-3-16(11-22)4-6-17/h3-10,12-13H,1-2H3,(H,24,25)
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n/an/a 190n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse NaV1.8 by electrophysiology


Bioorg Med Chem Lett 20: 6812-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.121
BindingDB Entry DOI: 10.7270/Q2F76CS6
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.8


(Rattus norvegicus (Rat))
BDBM50329202
PNG
(5-(4-cyanophenyl)-N-(3,5-dimethylphenyl)nicotinami...)
Show SMILES Cc1cc(C)cc(NC(=O)c2cncc(c2)-c2ccc(cc2)C#N)c1
Show InChI InChI=1S/C21H17N3O/c1-14-7-15(2)9-20(8-14)24-21(25)19-10-18(12-23-13-19)17-5-3-16(11-22)4-6-17/h3-10,12-13H,1-2H3,(H,24,25)
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n/an/a 91n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of tetrodotoxin-resistant NaV1.8 in rat DRG neuron by electrophysiology


Bioorg Med Chem Lett 20: 6812-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.121
BindingDB Entry DOI: 10.7270/Q2F76CS6
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM50329202
PNG
(5-(4-cyanophenyl)-N-(3,5-dimethylphenyl)nicotinami...)
Show SMILES Cc1cc(C)cc(NC(=O)c2cncc(c2)-c2ccc(cc2)C#N)c1
Show InChI InChI=1S/C21H17N3O/c1-14-7-15(2)9-20(8-14)24-21(25)19-10-18(12-23-13-19)17-5-3-16(11-22)4-6-17/h3-10,12-13H,1-2H3,(H,24,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CaV2.2


Bioorg Med Chem Lett 20: 6812-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.121
BindingDB Entry DOI: 10.7270/Q2F76CS6
More data for this
Ligand-Target Pair
Sodium channel protein type 10 subunit alpha


(Homo sapiens (Human))
BDBM50329202
PNG
(5-(4-cyanophenyl)-N-(3,5-dimethylphenyl)nicotinami...)
Show SMILES Cc1cc(C)cc(NC(=O)c2cncc(c2)-c2ccc(cc2)C#N)c1
Show InChI InChI=1S/C21H17N3O/c1-14-7-15(2)9-20(8-14)24-21(25)19-10-18(12-23-13-19)17-5-3-16(11-22)4-6-17/h3-10,12-13H,1-2H3,(H,24,25)
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n/an/a 23n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.8 by electrophysiology


Bioorg Med Chem Lett 20: 6812-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.121
BindingDB Entry DOI: 10.7270/Q2F76CS6
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50329202
PNG
(5-(4-cyanophenyl)-N-(3,5-dimethylphenyl)nicotinami...)
Show SMILES Cc1cc(C)cc(NC(=O)c2cncc(c2)-c2ccc(cc2)C#N)c1
Show InChI InChI=1S/C21H17N3O/c1-14-7-15(2)9-20(8-14)24-21(25)19-10-18(12-23-13-19)17-5-3-16(11-22)4-6-17/h3-10,12-13H,1-2H3,(H,24,25)
PDB

KEGG

UniProtKB/SwissProt

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n/an/a>3.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.5 by electrophysiology


Bioorg Med Chem Lett 20: 6812-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.121
BindingDB Entry DOI: 10.7270/Q2F76CS6
More data for this
Ligand-Target Pair