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BDBM140572 US8912224, 1

SMILES: CCn1cc(CNC(=O)c2cnc(Oc3ccc4OC(CCc4c3)c3ccccc3)s2)cn1

InChI Key: InChIKey=SRAPRHYRUBNVJU-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 = 140572   
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))
BDBM140572
PNG
(US8912224, 1)
Show SMILES CCn1cc(CNC(=O)c2cnc(Oc3ccc4OC(CCc4c3)c3ccccc3)s2)cn1
Show InChI InChI=1/C25H24N4O3S/c1-2-29-16-17(14-28-29)13-26-24(30)23-15-27-25(33-23)31-20-9-11-22-19(12-20)8-10-21(32-22)18-6-4-3-5-7-18/h3-7,9,11-12,14-16,21H,2,8,10,13H2,1H3,(H,26,30)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 300n/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