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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renal Outer Medullary Potassium (ROMK)' and Ligand = 'BDBM50163371'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Renal Outer Medullary Potassium (ROMK)


(Rattus norvegicus (Rat))
BDBM50163371
PNG
(CHEMBL3794155)
Show SMILES O=C(Cc1ccc(nc1)-n1cnnn1)N1CCN(CCc2ccc3C(=O)OCc3c2)CC1
Show InChI InChI=1S/C22H23N7O3/c30-21(12-17-2-4-20(23-13-17)29-15-24-25-26-29)28-9-7-27(8-10-28)6-5-16-1-3-19-18(11-16)14-32-22(19)31/h1-4,11,13,15H,5-10,12,14H2
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 86n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat ROMK expressed in HEK293 cells after 30 mins by [86Rb+] flux functional assay


Bioorg Med Chem Lett 26: 2339-43 (2016)


BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair