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BDBM194969 US9206198, 24

SMILES: Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCCN(C2)C2=CC(=O)OC2)CC1

InChI Key: InChIKey=WMHOEEFNQVFBRW-NRFANRHFSA-N

Data: 2 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 2 hits for monomerid = 194969   
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))
BDBM194969
PNG
(US9206198, 24)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCCN(C2)C2=CC(=O)OC2)CC1 |r,t:26|
Show InChI InChI=1S/C24H30N2O5/c1-16-18(3-4-19-20(16)14-31-23(19)29)21(27)12-25-9-6-24(7-10-25)5-2-8-26(15-24)17-11-22(28)30-13-17/h3-4,11,21,27H,2,5-10,12-15H2,1H3/t21-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 620n/an/an/an/a7.437



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 ...


US Patent US9206198 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86FH
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM194969
PNG
(US9206198, 24)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCCN(C2)C2=CC(=O)OC2)CC1 |r,t:26|
Show InChI InChI=1S/C24H30N2O5/c1-16-18(3-4-19-20(16)14-31-23(19)29)21(27)12-25-9-6-24(7-10-25)5-2-8-26(15-24)17-11-22(28)30-13-17/h3-4,11,21,27H,2,5-10,12-15H2,1H3/t21-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

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


US Patent US9206198 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86FH
More data for this
Ligand-Target Pair