new BindingDB logo
myBDB logout

BDBM50329204 5-(4-chlorophenyl)-N-((2-morpholinopyridin-3-yl)methyl)nicotinamide::CHEMBL1270302

SMILES: Clc1ccc(cc1)-c1cncc(c1)C(=O)NCc1cccnc1N1CCOCC1

InChI Key: InChIKey=FNEDVEXAIMFBRN-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50329204   
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
Voltage-gated sodium channel subunit alpha Nav1.8


(Rattus norvegicus (Rat))
BDBM50329204
PNG
(5-(4-chlorophenyl)-N-((2-morpholinopyridin-3-yl)me...)
Show SMILES Clc1ccc(cc1)-c1cncc(c1)C(=O)NCc1cccnc1N1CCOCC1
Show InChI InChI=1S/C22H21ClN4O2/c23-20-5-3-16(4-6-20)18-12-19(14-24-13-18)22(28)26-15-17-2-1-7-25-21(17)27-8-10-29-11-9-27/h1-7,12-14H,8-11,15H2,(H,26,28)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 98n/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
Sodium channel protein type X alpha subunit


(Mus musculus)
BDBM50329204
PNG
(5-(4-chlorophenyl)-N-((2-morpholinopyridin-3-yl)me...)
Show SMILES Clc1ccc(cc1)-c1cncc(c1)C(=O)NCc1cccnc1N1CCOCC1
Show InChI InChI=1S/C22H21ClN4O2/c23-20-5-3-16(4-6-20)18-12-19(14-24-13-18)22(28)26-15-17-2-1-7-25-21(17)27-8-10-29-11-9-27/h1-7,12-14H,8-11,15H2,(H,26,28)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 340n/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
Sodium channel protein type 10 subunit alpha


(Homo sapiens (Human))
BDBM50329204
PNG
(5-(4-chlorophenyl)-N-((2-morpholinopyridin-3-yl)me...)
Show SMILES Clc1ccc(cc1)-c1cncc(c1)C(=O)NCc1cccnc1N1CCOCC1
Show InChI InChI=1S/C22H21ClN4O2/c23-20-5-3-16(4-6-20)18-12-19(14-24-13-18)22(28)26-15-17-2-1-7-25-21(17)27-8-10-29-11-9-27/h1-7,12-14H,8-11,15H2,(H,26,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 87n/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
Voltage-gated sodium channel subunit alpha Nav1.2 (Nav1.2)


(Homo sapiens (Human))
BDBM50329204
PNG
(5-(4-chlorophenyl)-N-((2-morpholinopyridin-3-yl)me...)
Show SMILES Clc1ccc(cc1)-c1cncc(c1)C(=O)NCc1cccnc1N1CCOCC1
Show InChI InChI=1S/C22H21ClN4O2/c23-20-5-3-16(4-6-20)18-12-19(14-24-13-18)22(28)26-15-17-2-1-7-25-21(17)27-8-10-29-11-9-27/h1-7,12-14H,8-11,15H2,(H,26,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.2 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