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BDBM163850 US9062070, 105::US9062070, 106

SMILES: Cc1c(ccc(F)c1[N+]#[C-])[C@@H]1CN2CCN(C[C@@H]2CN1)C(=O)C1CCc2cc(ncc12)-n1cnnn1

InChI Key: InChIKey=IIZMZERPGJMMLW-FAHGHSIGNA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 163850   
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
Renal Outer Medullary Potassium (ROMK)


(Rattus norvegicus (Rat))
BDBM163850
PNG
(US9062070, 105 | US9062070, 106)
Show SMILES Cc1c(ccc(F)c1[N+]#[C-])[C@@H]1CN2CCN(C[C@@H]2CN1)C(=O)C1CCc2cc(ncc12)-n1cnnn1 |r|
Show InChI InChI=1/C25H26FN9O/c1-15-18(5-6-21(26)24(15)27-2)22-13-33-7-8-34(12-17(33)10-28-22)25(36)19-4-3-16-9-23(29-11-20(16)19)35-14-30-31-32-35/h5-6,9,11,14,17,19,22,28H,3-4,7-8,10,12-13H2,1H3/t17-,19?,22-/s2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 80n/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))
BDBM163850
PNG
(US9062070, 105 | US9062070, 106)
Show SMILES Cc1c(ccc(F)c1[N+]#[C-])[C@@H]1CN2CCN(C[C@@H]2CN1)C(=O)C1CCc2cc(ncc12)-n1cnnn1 |r|
Show InChI InChI=1/C25H26FN9O/c1-15-18(5-6-21(26)24(15)27-2)22-13-33-7-8-34(12-17(33)10-28-22)25(36)19-4-3-16-9-23(29-11-20(16)19)35-14-30-31-32-35/h5-6,9,11,14,17,19,22,28H,3-4,7-8,10,12-13H2,1H3/t17-,19?,22-/s2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 400n/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))
BDBM163850
PNG
(US9062070, 105 | US9062070, 106)
Show SMILES Cc1c(ccc(F)c1[N+]#[C-])[C@@H]1CN2CCN(C[C@@H]2CN1)C(=O)C1CCc2cc(ncc12)-n1cnnn1 |r|
Show InChI InChI=1/C25H26FN9O/c1-15-18(5-6-21(26)24(15)27-2)22-13-33-7-8-34(12-17(33)10-28-22)25(36)19-4-3-16-9-23(29-11-20(16)19)35-14-30-31-32-35/h5-6,9,11,14,17,19,22,28H,3-4,7-8,10,12-13H2,1H3/t17-,19?,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))
BDBM163850
PNG
(US9062070, 105 | US9062070, 106)
Show SMILES Cc1c(ccc(F)c1[N+]#[C-])[C@@H]1CN2CCN(C[C@@H]2CN1)C(=O)C1CCc2cc(ncc12)-n1cnnn1 |r|
Show InChI InChI=1/C25H26FN9O/c1-15-18(5-6-21(26)24(15)27-2)22-13-33-7-8-34(12-17(33)10-28-22)25(36)19-4-3-16-9-23(29-11-20(16)19)35-14-30-31-32-35/h5-6,9,11,14,17,19,22,28H,3-4,7-8,10,12-13H2,1H3/t17-,19?,22-/s2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 120n/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