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BDBM195032 US9206198, 53D

SMILES: C[C@@H]([C@@H](O)c1ccc2C(=O)OCc2c1C)N1CCC2(CCN(C2=O)C2=C(C)C(=O)OC2)CC1

InChI Key: InChIKey=TYEGYOCBCGKMJZ-HRAATJIYSA-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 = 195032   
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
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM195032
PNG
(US9206198, 53D)
Show SMILES C[C@@H]([C@@H](O)c1ccc2C(=O)OCc2c1C)N1CCC2(CCN(C2=O)C2=C(C)C(=O)OC2)CC1
Show InChI InChI=1S/C25H30N2O6/c1-14-17(4-5-18-19(14)12-32-23(18)30)21(28)16(3)26-9-6-25(7-10-26)8-11-27(24(25)31)20-13-33-22(29)15(20)2/h4-5,16,21,28H,6-13H2,1-3H3/t16-,21+/m0/s1
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PC cid
PC sid
UniChem
US Patent
n/an/a 70n/an/an/an/an/a37



Merck Sharp & Dohme Corp

US Patent


Assay Description
The ROMK channel functional thallium flux assay is performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells are seeded in Poly-D...


US Patent US9206198 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86FH
More data for this
Ligand-Target Pair