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BDBM50115243 (S)-N-[7-(5-fluoro-2-methylphenyl)-4-methyl-(7S)-5,6,7,8-tetrahydro-5-quinolinyliden(imine)]iminomethanediamine 2CH3SO3H::CHEMBL102872

SMILES: [#6]-c1ccc(F)cc1-[#6@H]-1-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c2c(-[#6])ccnc2-[#6]-1

InChI Key: InChIKey=LANOLOBXTHGFCJ-GFCCVEGCSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50115243   
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/hydrogen exchanger 1


(Rattus norvegicus)
BDBM50115243
PNG
((S)-N-[7-(5-fluoro-2-methylphenyl)-4-methyl-(7S)-5...)
Show SMILES [#6]-c1ccc(F)cc1-[#6@H]-1-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c2c(-[#6])ccnc2-[#6]-1 |w:11.12|
Show InChI InChI=1S/C18H20FN5/c1-10-3-4-13(19)9-14(10)12-7-15-17(11(2)5-6-22-15)16(8-12)23-24-18(20)21/h3-6,9,12H,7-8H2,1-2H3,(H4,20,21,24)/t12-/m1/s1
PDB

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PC cid
PC sid
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PubMed
n/an/a 14n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition


J Med Chem 45: 3009-21 (2002)


BindingDB Entry DOI: 10.7270/Q2V40VZN
More data for this
Ligand-Target Pair