new BindingDB logo
myBDB logout

BDBM50164070 (1S,2S)-2-[(2''-Trifluoromethyl-biphenyl-4-ylmethyl)-amino]-cyclopentanecarboxylic acid ([2,2'']bithiophenyl-5-ylmethyl)-amide::CHEMBL183860

SMILES: FC(F)(F)c1ccccc1-c1ccc(CN[C@H]2CCC[C@@H]2C(=O)NCc2ccc(s2)-c2cccs2)cc1

InChI Key: InChIKey=AYQCRJUBTVQWFC-ZCYQVOJMSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50164070   
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
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50164070
PNG
((1S,2S)-2-[(2''-Trifluoromethyl-biphenyl-4-ylmethy...)
Show SMILES FC(F)(F)c1ccccc1-c1ccc(CN[C@H]2CCC[C@@H]2C(=O)NCc2ccc(s2)-c2cccs2)cc1
Show InChI InChI=1S/C29H27F3N2OS2/c30-29(31,32)24-7-2-1-5-22(24)20-12-10-19(11-13-20)17-33-25-8-3-6-23(25)28(35)34-18-21-14-15-27(37-21)26-9-4-16-36-26/h1-2,4-5,7,9-16,23,25,33H,3,6,8,17-18H2,(H,34,35)/t23-,25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
110n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory constant against voltage-gated sodium channel Nav1.7 in electrophysiology assays (EP)


Bioorg Med Chem Lett 15: 1901-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50164070
PNG
((1S,2S)-2-[(2''-Trifluoromethyl-biphenyl-4-ylmethy...)
Show SMILES FC(F)(F)c1ccccc1-c1ccc(CN[C@H]2CCC[C@@H]2C(=O)NCc2ccc(s2)-c2cccs2)cc1
Show InChI InChI=1S/C29H27F3N2OS2/c30-29(31,32)24-7-2-1-5-22(24)20-12-10-19(11-13-20)17-33-25-8-3-6-23(25)28(35)34-18-21-14-15-27(37-21)26-9-4-16-36-26/h1-2,4-5,7,9-16,23,25,33H,3,6,8,17-18H2,(H,34,35)/t23-,25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against voltage-gated sodium channel Nav1.7 in voltage-ion-probe-reader (VIPR) assay


Bioorg Med Chem Lett 15: 1901-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD
More data for this
Ligand-Target Pair