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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium channel subunit beta-2' and Ligand = 'BDBM258106'   
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 subunit beta-2


(Homo sapiens)
BDBM258106
PNG
(US9493448, 8 | US9845313, Example 8)
Show SMILES Cn1nccc1[C@H]1CCC[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1 |r|
Show InChI InChI=1S/C17H17F2N5O3S2/c1-24-13(5-6-21-24)10-3-2-4-14(10)27-15-7-12(19)16(8-11(15)18)29(25,26)23-17-20-9-22-28-17/h5-10,14H,2-4H2,1H3,(H,20,22,23)/t10-,14+/m1/s1
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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.7/beta1/beta2 expressed in HEK293A cells by Ionworks high-throughput electrophysiology method


J Med Chem 63: 10204-10220 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00259
BindingDB Entry DOI: 10.7270/Q2Q52T67
More data for this
Ligand-Target Pair
Sodium channel subunit beta-2


(Mus musculus)
BDBM258106
PNG
(US9493448, 8 | US9845313, Example 8)
Show SMILES Cn1nccc1[C@H]1CCC[C@@H]1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1 |r|
Show InChI InChI=1S/C17H17F2N5O3S2/c1-24-13(5-6-21-24)10-3-2-4-14(10)27-15-7-12(19)16(8-11(15)18)29(25,26)23-17-20-9-22-28-17/h5-10,14H,2-4H2,1H3,(H,20,22,23)/t10-,14+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 240n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of mouse NaV1.7/beta1/beta2 expressed in HEK293A cells by Ionworks high-throughput electrophysiology method


J Med Chem 63: 10204-10220 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00259
BindingDB Entry DOI: 10.7270/Q2Q52T67
More data for this
Ligand-Target Pair