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BDBM195918 US9206199, 21

SMILES: Cc1c2COC(=O)c2ccc1[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1

InChI Key: InChIKey=YPUSXXSDSCDEJP-LAUBAEHRSA-N

Data: 4 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 195918   
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))
BDBM195918
PNG
(US9206199, 21)
Show SMILES Cc1c2COC(=O)c2ccc1[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
Show InChI InChI=1S/C24H25N7O4/c1-15-18(3-4-19-20(15)13-35-24(19)33)21-11-29-6-7-30(10-17(29)12-34-21)23(32)8-16-2-5-22(25-9-16)31-14-26-27-28-31/h2-5,9,14,17,21H,6-8,10-13H2,1H3/t17-,21+/m0/s1
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US Patent
n/an/a 100n/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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM195918
PNG
(US9206199, 21)
Show SMILES Cc1c2COC(=O)c2ccc1[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
Show InChI InChI=1S/C24H25N7O4/c1-15-18(3-4-19-20(15)13-35-24(19)33)21-11-29-6-7-30(10-17(29)12-34-21)23(32)8-16-2-5-22(25-9-16)31-14-26-27-28-31/h2-5,9,14,17,21H,6-8,10-13H2,1H3/t17-,21+/m0/s1
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Article
PubMed
n/an/a 5.65E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG by electrophysiology method


Bioorg Med Chem Lett 26: 5695-5702 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM195918
PNG
(US9206199, 21)
Show SMILES Cc1c2COC(=O)c2ccc1[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
Show InChI InChI=1S/C24H25N7O4/c1-15-18(3-4-19-20(15)13-35-24(19)33)21-11-29-6-7-30(10-17(29)12-34-21)23(32)8-16-2-5-22(25-9-16)31-14-26-27-28-31/h2-5,9,14,17,21H,6-8,10-13H2,1H3/t17-,21+/m0/s1
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n/an/a 2.68E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 35S-MK499 from human ERG expressed in HEK293 cell membranes


Bioorg Med Chem Lett 26: 5695-5702 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM195918
PNG
(US9206199, 21)
Show SMILES Cc1c2COC(=O)c2ccc1[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
Show InChI InChI=1S/C24H25N7O4/c1-15-18(3-4-19-20(15)13-35-24(19)33)21-11-29-6-7-30(10-17(29)12-34-21)23(32)8-16-2-5-22(25-9-16)31-14-26-27-28-31/h2-5,9,14,17,21H,6-8,10-13H2,1H3/t17-,21+/m0/s1
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n/an/a 88n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ROMK expressed in CHO cells after 6 mins at -70 mV holding potential by electrophysiology method


Bioorg Med Chem Lett 26: 5695-5702 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS
More data for this
Ligand-Target Pair