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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Renal Outer Medullary Potassium (ROMK)' and Ligand = 'BDBM163759'   
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))
BDBM163759
PNG
(US9062070, 15)
Show SMILES Cc1c(csc1[N+]#[C-])[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCc2nc(ccc12)-n1cnnn1 |r|
Show InChI InChI=1/C23H24N8O2S/c1-14-18(12-34-22(14)24-2)20-10-29-7-8-30(9-15(29)11-33-20)23(32)17-3-5-19-16(17)4-6-21(26-19)31-13-25-27-28-31/h4,6,12-13,15,17,20H,3,5,7-11H2,1H3/t15-,17?,20-/s2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 60n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(Rattus norvegicus (Rat))
BDBM163759
PNG
(US9062070, 15)
Show SMILES Cc1c(csc1[N+]#[C-])[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCc2nc(ccc12)-n1cnnn1 |r|
Show InChI InChI=1/C23H24N8O2S/c1-14-18(12-34-22(14)24-2)20-10-29-7-8-30(9-15(29)11-33-20)23(32)17-3-5-19-16(17)4-6-21(26-19)31-13-25-27-28-31/h4,6,12-13,15,17,20H,3,5,7-11H2,1H3/t15-,17?,20-/s2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 540n/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-L...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair