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BDBM195986 US9206199, 91

SMILES: Cc1c(cccc1[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1)[N+]#[C-]

InChI Key: InChIKey=ZQLMCYHOZXQCIP-RXVVDRJESA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 195986   
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))
BDBM195986
PNG
(US9206199, 91)
Show SMILES Cc1c(cccc1[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1)[N+]#[C-] |r|
Show InChI InChI=1S/C23H24N8O2/c1-16-19(4-3-5-20(16)24-2)21-13-29-8-9-30(12-18(29)14-33-21)23(32)10-17-6-7-22(25-11-17)31-15-26-27-28-31/h3-7,11,15,18,21H,8-10,12-14H2,1H3/t18-,21-/m0/s1
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PC cid
PC sid
UniChem
US Patent
n/an/a 60n/an/an/an/an/an/a



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-L...


US Patent US9206199 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MND
More data for this
Ligand-Target Pair