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BDBM50164071 (1S,2S)-2-[(Biphenyl-4-ylmethyl)-amino]-cyclopentanecarboxylic acid ([2,2'']bithiophenyl-5-ylmethyl)-amide::CHEMBL360523

SMILES: O=C(NCc1ccc(s1)-c1cccs1)[C@H]1CCC[C@@H]1NCc1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=APNNOVMOGIMLMP-DQEYMECFSA-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 = 50164071   
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))
BDBM50164071
PNG
((1S,2S)-2-[(Biphenyl-4-ylmethyl)-amino]-cyclopenta...)
Show SMILES O=C(NCc1ccc(s1)-c1cccs1)[C@H]1CCC[C@@H]1NCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H28N2OS2/c31-28(30-19-23-15-16-27(33-23)26-10-5-17-32-26)24-8-4-9-25(24)29-18-20-11-13-22(14-12-20)21-6-2-1-3-7-21/h1-3,5-7,10-17,24-25,29H,4,8-9,18-19H2,(H,30,31)/t24-,25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.50E+3n/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))
BDBM50164071
PNG
((1S,2S)-2-[(Biphenyl-4-ylmethyl)-amino]-cyclopenta...)
Show SMILES O=C(NCc1ccc(s1)-c1cccs1)[C@H]1CCC[C@@H]1NCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H28N2OS2/c31-28(30-19-23-15-16-27(33-23)26-10-5-17-32-26)24-8-4-9-25(24)29-18-20-11-13-22(14-12-20)21-6-2-1-3-7-21/h1-3,5-7,10-17,24-25,29H,4,8-9,18-19H2,(H,30,31)/t24-,25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/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