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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50237500   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50237500
PNG
(CHEMBL4096711)
Show SMILES ON1CCC[C@H](CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)C1 |r|
Show InChI InChI=1S/C15H18ClFN4O3S2/c16-11-6-14(26(23,24)20-15-18-3-5-25-15)12(17)7-13(11)19-8-10-2-1-4-21(22)9-10/h3,5-7,10,19,22H,1-2,4,8-9H2,(H,18,20)/t10-/m1/s1
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KEGG

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PC cid
PC sid
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Article
PubMed
n/an/a 186n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Nav1.7 expressed in HEK293 cells assessed as reduction in peak inward current at -60 mV holding potential measured af...


J Med Chem 60: 2513-2525 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01918
BindingDB Entry DOI: 10.7270/Q2057J69
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50237500
PNG
(CHEMBL4096711)
Show SMILES ON1CCC[C@H](CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)C1 |r|
Show InChI InChI=1S/C15H18ClFN4O3S2/c16-11-6-14(26(23,24)20-15-18-3-5-25-15)12(17)7-13(11)19-8-10-2-1-4-21(22)9-10/h3,5-7,10,19,22H,1-2,4,8-9H2,(H,18,20)/t10-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 7.90E+3n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human CYP3A4 assessed as inhibition of dealkylation


J Med Chem 60: 2513-2525 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01918
BindingDB Entry DOI: 10.7270/Q2057J69
More data for this
Ligand-Target Pair