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BDBM50237492 CHEMBL4065188

SMILES: N[C@H]1CC[C@](CCOc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)(CC1)c1ccc(Cl)cc1

InChI Key:

Data: 2 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 = 50237492   
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 5 subunit alpha


(Homo sapiens (Human))
BDBM50237492
PNG
(CHEMBL4065188)
Show SMILES N[C@H]1CC[C@](CCOc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)(CC1)c1ccc(Cl)cc1 |r,wU:1.0,wD:4.4,(6.2,-22.18,;6.25,-20.64,;4.94,-19.82,;4.99,-18.29,;6.34,-17.57,;7.12,-16.25,;8.66,-16.25,;9.42,-17.59,;10.96,-17.6,;11.72,-16.28,;13.26,-16.28,;14.03,-14.95,;14.03,-17.62,;13.25,-18.95,;11.71,-18.94,;10.93,-20.27,;15.57,-17.62,;15.98,-16.13,;17.06,-17.23,;16.33,-18.96,;17.87,-18.97,;18.78,-17.73,;20.24,-18.21,;20.23,-19.74,;18.77,-20.21,;7.66,-18.37,;7.61,-19.91,;5.24,-16.47,;5.65,-14.97,;4.56,-13.87,;3.05,-14.27,;1.96,-13.18,;2.65,-15.78,;3.75,-16.88,)|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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



Bristol-Myers Squibb

Curated by ChEMBL




J Med Chem 60: 2513-2525 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01918
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50237492
PNG
(CHEMBL4065188)
Show SMILES N[C@H]1CC[C@](CCOc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)(CC1)c1ccc(Cl)cc1 |r,wU:1.0,wD:4.4,(6.2,-22.18,;6.25,-20.64,;4.94,-19.82,;4.99,-18.29,;6.34,-17.57,;7.12,-16.25,;8.66,-16.25,;9.42,-17.59,;10.96,-17.6,;11.72,-16.28,;13.26,-16.28,;14.03,-14.95,;14.03,-17.62,;13.25,-18.95,;11.71,-18.94,;10.93,-20.27,;15.57,-17.62,;15.98,-16.13,;17.06,-17.23,;16.33,-18.96,;17.87,-18.97,;18.78,-17.73,;20.24,-18.21,;20.23,-19.74,;18.77,-20.21,;7.66,-18.37,;7.61,-19.91,;5.24,-16.47,;5.65,-14.97,;4.56,-13.87,;3.05,-14.27,;1.96,-13.18,;2.65,-15.78,;3.75,-16.88,)|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 388n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL




J Med Chem 60: 2513-2525 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01918
More data for this
Ligand-Target Pair