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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Renal Outer Medullary Potassium (ROMK)' and Ligand = 'BDBM163800'   
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))
BDBM163800
PNG
(US9062070, 55 | US9062070, 56)
Show SMILES O=C(C1CCc2cc(ncc12)-n1cnnn1)N1CCN2C[C@@H](OC[C@@H]2C1)c1ccc2C(=O)OCc2c1 |r|
Show InChI InChI=1/C25H25N7O4/c33-24(20-4-1-15-8-23(26-9-21(15)20)32-14-27-28-29-32)31-6-5-30-11-22(35-13-18(30)10-31)16-2-3-19-17(7-16)12-36-25(19)34/h2-3,7-9,14,18,20,22H,1,4-6,10-13H2/t18-,20?,22+/s2
UniProtKB/SwissProt

GoogleScholar
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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))
BDBM163800
PNG
(US9062070, 55 | US9062070, 56)
Show SMILES O=C(C1CCc2cc(ncc12)-n1cnnn1)N1CCN2C[C@@H](OC[C@@H]2C1)c1ccc2C(=O)OCc2c1 |r|
Show InChI InChI=1/C25H25N7O4/c33-24(20-4-1-15-8-23(26-9-21(15)20)32-14-27-28-29-32)31-6-5-30-11-22(35-13-18(30)10-31)16-2-3-19-17(7-16)12-36-25(19)34/h2-3,7-9,14,18,20,22H,1,4-6,10-13H2/t18-,20?,22+/s2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 110n/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))
BDBM163800
PNG
(US9062070, 55 | US9062070, 56)
Show SMILES O=C(C1CCc2cc(ncc12)-n1cnnn1)N1CCN2C[C@@H](OC[C@@H]2C1)c1ccc2C(=O)OCc2c1 |r|
Show InChI InChI=1/C25H25N7O4/c33-24(20-4-1-15-8-23(26-9-21(15)20)32-14-27-28-29-32)31-6-5-30-11-22(35-13-18(30)10-31)16-2-3-19-17(7-16)12-36-25(19)34/h2-3,7-9,14,18,20,22H,1,4-6,10-13H2/t18-,20?,22+/s2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 140n/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
Renal Outer Medullary Potassium (ROMK)


(Rattus norvegicus (Rat))
BDBM163800
PNG
(US9062070, 55 | US9062070, 56)
Show SMILES O=C(C1CCc2cc(ncc12)-n1cnnn1)N1CCN2C[C@@H](OC[C@@H]2C1)c1ccc2C(=O)OCc2c1 |r|
Show InChI InChI=1/C25H25N7O4/c33-24(20-4-1-15-8-23(26-9-21(15)20)32-14-27-28-29-32)31-6-5-30-11-22(35-13-18(30)10-31)16-2-3-19-17(7-16)12-36-25(19)34/h2-3,7-9,14,18,20,22H,1,4-6,10-13H2/t18-,20?,22+/s2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 220n/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