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BDBM140723 US8912224, 155

SMILES: Nc1cc(CNCc2cnc(Oc3ccc4OC(CCc4c3)c3ccccc3)s2)ccn1

InChI Key: InChIKey=WPPUPPALBIUCLM-UHFFFAOYNA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 140723   
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/calcium exchanger 1(NCX1)


(Homo sapiens (Human))
BDBM140723
PNG
(US8912224, 155)
Show SMILES Nc1cc(CNCc2cnc(Oc3ccc4OC(CCc4c3)c3ccccc3)s2)ccn1
Show InChI InChI=1/C25H24N4O2S/c26-24-12-17(10-11-28-24)14-27-15-21-16-29-25(32-21)30-20-7-9-23-19(13-20)6-8-22(31-23)18-4-2-1-3-5-18/h1-5,7,9-13,16,22,27H,6,8,14-15H2,(H2,26,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 400n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
The assay is based on the monitoring of intracellular Ca2+concentrations using the calcium-sensitive dye Fluo-4. CHO cells expressing NCX1 were loade...


US Patent US8912224 (2014)


BindingDB Entry DOI: 10.7270/Q22F7M52
More data for this
Ligand-Target Pair