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SMILES: Cc1c(ccc(F)c1[N+]#[C-])[C@@H]1CN2CCN(CC(O)c3cccc(c3)-n3cnnn3)C[C@@H]2CO1

InChI Key: InChIKey=DTGYAMGHQPSIOC-QREQTRJTSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 312616   
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))
BDBM312616
PNG
(US9604998, Example 22 | US9604998, Example 23)
Show SMILES Cc1c(ccc(F)c1[N+]#[C-])[C@@H]1CN2CCN(CC(O)c3cccc(c3)-n3cnnn3)C[C@@H]2CO1 |r|
Show InChI InChI=1S/C24H26FN7O2/c1-16-20(6-7-21(25)24(16)26-2)23-13-31-9-8-30(11-19(31)14-34-23)12-22(33)17-4-3-5-18(10-17)32-15-27-28-29-32/h3-7,10,15,19,22-23,33H,8-9,11-14H2,1H3/t19-,22?,23+/m1/s1
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UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 120n/an/an/an/an/an/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 US9604998 (2017)


BindingDB Entry DOI: 10.7270/Q2XW4MWK
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM312616
PNG
(US9604998, Example 22 | US9604998, Example 23)
Show SMILES Cc1c(ccc(F)c1[N+]#[C-])[C@@H]1CN2CCN(CC(O)c3cccc(c3)-n3cnnn3)C[C@@H]2CO1 |r|
Show InChI InChI=1S/C24H26FN7O2/c1-16-20(6-7-21(25)24(16)26-2)23-13-31-9-8-30(11-19(31)14-34-23)12-22(33)17-4-3-5-18(10-17)32-15-27-28-29-32/h3-7,10,15,19,22-23,33H,8-9,11-14H2,1H3/t19-,22?,23+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 440n/an/an/an/an/an/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 US9604998 (2017)


BindingDB Entry DOI: 10.7270/Q2XW4MWK
More data for this
Ligand-Target Pair