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SMILES: Cc1c(ccc(F)c1[N+]#[C-])C1CN2CCN(CC2CCO1)C(=O)Cc1ccc(nc1)-n1cnnn1

InChI Key: InChIKey=YYLKTLHBSVNPLY-UHFFFAOYSA-N

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 3 hits for monomerid = 196064   
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))
BDBM196064
PNG
(US9206199, 169 | US9206199, 170 | US9206199, 171)
Show SMILES Cc1c(ccc(F)c1[N+]#[C-])C1CN2CCN(CC2CCO1)C(=O)Cc1ccc(nc1)-n1cnnn1
Show InChI InChI=1S/C24H25FN8O2/c1-16-19(4-5-20(25)24(16)26-2)21-14-31-8-9-32(13-18(31)7-10-35-21)23(34)11-17-3-6-22(27-12-17)33-15-28-29-30-33/h3-6,12,15,18,21H,7-11,13-14H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 180n/an/an/an/an/an/a



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 US9206199 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MND
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM196064
PNG
(US9206199, 169 | US9206199, 170 | US9206199, 171)
Show SMILES Cc1c(ccc(F)c1[N+]#[C-])C1CN2CCN(CC2CCO1)C(=O)Cc1ccc(nc1)-n1cnnn1
Show InChI InChI=1S/C24H25FN8O2/c1-16-19(4-5-20(25)24(16)26-2)21-14-31-8-9-32(13-18(31)7-10-35-21)23(34)11-17-3-6-22(27-12-17)33-15-28-29-30-33/h3-6,12,15,18,21H,7-11,13-14H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 270n/an/an/an/an/an/a



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 US9206199 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MND
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM196064
PNG
(US9206199, 169 | US9206199, 170 | US9206199, 171)
Show SMILES Cc1c(ccc(F)c1[N+]#[C-])C1CN2CCN(CC2CCO1)C(=O)Cc1ccc(nc1)-n1cnnn1
Show InChI InChI=1S/C24H25FN8O2/c1-16-19(4-5-20(25)24(16)26-2)21-14-31-8-9-32(13-18(31)7-10-35-21)23(34)11-17-3-6-22(27-12-17)33-15-28-29-30-33/h3-6,12,15,18,21H,7-11,13-14H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 240n/an/an/an/an/an/a



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 US9206199 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MND
More data for this
Ligand-Target Pair