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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 50237519   
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))
BDBM50237519
PNG
(CHEMBL4097237 | US10836758, Example 21)
Show SMILES N[C@H]1CC[C@H](CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)CC1 |r,wU:1.0,wD:4.4,(46.21,-58.36,;47.55,-57.58,;47.55,-56.04,;48.89,-55.27,;50.21,-56.04,;51.54,-55.27,;51.52,-53.72,;52.86,-52.92,;52.86,-51.39,;54.19,-50.61,;54.19,-49.08,;55.53,-51.38,;55.53,-52.93,;54.19,-53.69,;54.19,-55.23,;56.86,-50.6,;56.09,-49.26,;57.63,-49.26,;58.21,-51.37,;59.53,-50.59,;59.53,-49.05,;60.99,-48.58,;61.89,-49.81,;61,-51.06,;50.21,-57.58,;48.88,-58.35,)|
Show InChI InChI=1S/C16H20ClFN4O2S2/c17-12-7-15(26(23,24)22-16-20-5-6-25-16)13(18)8-14(12)21-9-10-1-3-11(19)4-2-10/h5-8,10-11,21H,1-4,9,19H2,(H,20,22)/t10-,11-
PDB

KEGG

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Article
PubMed
n/an/a 398n/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
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50237519
PNG
(CHEMBL4097237 | US10836758, Example 21)
Show SMILES N[C@H]1CC[C@H](CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)CC1 |r,wU:1.0,wD:4.4,(46.21,-58.36,;47.55,-57.58,;47.55,-56.04,;48.89,-55.27,;50.21,-56.04,;51.54,-55.27,;51.52,-53.72,;52.86,-52.92,;52.86,-51.39,;54.19,-50.61,;54.19,-49.08,;55.53,-51.38,;55.53,-52.93,;54.19,-53.69,;54.19,-55.23,;56.86,-50.6,;56.09,-49.26,;57.63,-49.26,;58.21,-51.37,;59.53,-50.59,;59.53,-49.05,;60.99,-48.58,;61.89,-49.81,;61,-51.06,;50.21,-57.58,;48.88,-58.35,)|
Show InChI InChI=1S/C16H20ClFN4O2S2/c17-12-7-15(26(23,24)22-16-20-5-6-25-16)13(18)8-14(12)21-9-10-1-3-11(19)4-2-10/h5-8,10-11,21H,1-4,9,19H2,(H,20,22)/t10-,11-
PDB

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US Patent
n/an/a 398n/an/an/an/an/an/a



BRISTOL-MYERS SQUIBB COMPANY

US Patent


Assay Description
hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...


US Patent US10836758 (2020)


BindingDB Entry DOI: 10.7270/Q2B56NTB
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50237519
PNG
(CHEMBL4097237 | US10836758, Example 21)
Show SMILES N[C@H]1CC[C@H](CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)CC1 |r,wU:1.0,wD:4.4,(46.21,-58.36,;47.55,-57.58,;47.55,-56.04,;48.89,-55.27,;50.21,-56.04,;51.54,-55.27,;51.52,-53.72,;52.86,-52.92,;52.86,-51.39,;54.19,-50.61,;54.19,-49.08,;55.53,-51.38,;55.53,-52.93,;54.19,-53.69,;54.19,-55.23,;56.86,-50.6,;56.09,-49.26,;57.63,-49.26,;58.21,-51.37,;59.53,-50.59,;59.53,-49.05,;60.99,-48.58,;61.89,-49.81,;61,-51.06,;50.21,-57.58,;48.88,-58.35,)|
Show InChI InChI=1S/C16H20ClFN4O2S2/c17-12-7-15(26(23,24)22-16-20-5-6-25-16)13(18)8-14(12)21-9-10-1-3-11(19)4-2-10/h5-8,10-11,21H,1-4,9,19H2,(H,20,22)/t10-,11-
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem

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



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Nav1.5 expressed in HEK293 cells assessed as reduction in peak inward current at -50 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