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BDBM50357205 CHEMBL1914844::CHEMBL1963594

SMILES: Cc1ccc(cc1)N1CCN(CC(O)COc2ccccc2C(=O)CCc2ccccc2)CC1

InChI Key: InChIKey=ZJYHULVNOMALBG-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50357205   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50357205
PNG
(CHEMBL1914844 | CHEMBL1963594)
Show SMILES Cc1ccc(cc1)N1CCN(CC(O)COc2ccccc2C(=O)CCc2ccccc2)CC1
Show InChI InChI=1S/C29H34N2O3/c1-23-11-14-25(15-12-23)31-19-17-30(18-20-31)21-26(32)22-34-29-10-6-5-9-27(29)28(33)16-13-24-7-3-2-4-8-24/h2-12,14-15,26,32H,13,16-22H2,1H3
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n/an/a 4.31E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human cloned ERG channel expressed in chinese hamster CHO cells after 5 mins by patch clamp assay


J Med Chem 54: 7477-85 (2011)


Article DOI: 10.1021/jm2005546
BindingDB Entry DOI: 10.7270/Q2SQ90T5
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50357205
PNG
(CHEMBL1914844 | CHEMBL1963594)
Show SMILES Cc1ccc(cc1)N1CCN(CC(O)COc2ccccc2C(=O)CCc2ccccc2)CC1
Show InChI InChI=1S/C29H34N2O3/c1-23-11-14-25(15-12-23)31-19-17-30(18-20-31)21-26(32)22-34-29-10-6-5-9-27(29)28(33)16-13-24-7-3-2-4-8-24/h2-12,14-15,26,32H,13,16-22H2,1H3
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n/an/a>5.00E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human cloned Nav1.5 channel expressed in chinese hamster CHO cells assessed as tonic inhibition after 5 mins by patch clamp assay


J Med Chem 54: 7477-85 (2011)


Article DOI: 10.1021/jm2005546
BindingDB Entry DOI: 10.7270/Q2SQ90T5
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50357205
PNG
(CHEMBL1914844 | CHEMBL1963594)
Show SMILES Cc1ccc(cc1)N1CCN(CC(O)COc2ccccc2C(=O)CCc2ccccc2)CC1
Show InChI InChI=1S/C29H34N2O3/c1-23-11-14-25(15-12-23)31-19-17-30(18-20-31)21-26(32)22-34-29-10-6-5-9-27(29)28(33)16-13-24-7-3-2-4-8-24/h2-12,14-15,26,32H,13,16-22H2,1H3
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n/an/a>5.00E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human cloned Nav1.5 channel expressed in chinese hamster CHO cells assessed as phasic inhibition after 5 mins by patch clamp assay


J Med Chem 54: 7477-85 (2011)


Article DOI: 10.1021/jm2005546
BindingDB Entry DOI: 10.7270/Q2SQ90T5
More data for this
Ligand-Target Pair
Sulfonylurea receptor 2, Kir6.2


(Homo sapiens (Human))
BDBM50357205
PNG
(CHEMBL1914844 | CHEMBL1963594)
Show SMILES Cc1ccc(cc1)N1CCN(CC(O)COc2ccccc2C(=O)CCc2ccccc2)CC1
Show InChI InChI=1S/C29H34N2O3/c1-23-11-14-25(15-12-23)31-19-17-30(18-20-31)21-26(32)22-34-29-10-6-5-9-27(29)28(33)16-13-24-7-3-2-4-8-24/h2-12,14-15,26,32H,13,16-22H2,1H3
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n/an/a>5.00E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of Kir6.2 by patch clamp assay


J Med Chem 55: 6087-93 (2012)


Article DOI: 10.1021/jm300286a
BindingDB Entry DOI: 10.7270/Q21Z45HW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50357205
PNG
(CHEMBL1914844 | CHEMBL1963594)
Show SMILES Cc1ccc(cc1)N1CCN(CC(O)COc2ccccc2C(=O)CCc2ccccc2)CC1
Show InChI InChI=1S/C29H34N2O3/c1-23-11-14-25(15-12-23)31-19-17-30(18-20-31)21-26(32)22-34-29-10-6-5-9-27(29)28(33)16-13-24-7-3-2-4-8-24/h2-12,14-15,26,32H,13,16-22H2,1H3
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n/an/a 4.31E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp assay


J Med Chem 55: 6087-93 (2012)


Article DOI: 10.1021/jm300286a
BindingDB Entry DOI: 10.7270/Q21Z45HW
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50357205
PNG
(CHEMBL1914844 | CHEMBL1963594)
Show SMILES Cc1ccc(cc1)N1CCN(CC(O)COc2ccccc2C(=O)CCc2ccccc2)CC1
Show InChI InChI=1S/C29H34N2O3/c1-23-11-14-25(15-12-23)31-19-17-30(18-20-31)21-26(32)22-34-29-10-6-5-9-27(29)28(33)16-13-24-7-3-2-4-8-24/h2-12,14-15,26,32H,13,16-22H2,1H3
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n/an/a>5.00E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of Nav1.5 assessed as tonic inhibition by patch clamp assay


J Med Chem 55: 6087-93 (2012)


Article DOI: 10.1021/jm300286a
BindingDB Entry DOI: 10.7270/Q21Z45HW
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50357205
PNG
(CHEMBL1914844 | CHEMBL1963594)
Show SMILES Cc1ccc(cc1)N1CCN(CC(O)COc2ccccc2C(=O)CCc2ccccc2)CC1
Show InChI InChI=1S/C29H34N2O3/c1-23-11-14-25(15-12-23)31-19-17-30(18-20-31)21-26(32)22-34-29-10-6-5-9-27(29)28(33)16-13-24-7-3-2-4-8-24/h2-12,14-15,26,32H,13,16-22H2,1H3
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n/an/a>5.00E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of Nav1.5 assessed as phasic inhibition by patch clamp assay


J Med Chem 55: 6087-93 (2012)


Article DOI: 10.1021/jm300286a
BindingDB Entry DOI: 10.7270/Q21Z45HW
More data for this
Ligand-Target Pair
Potassium channel, inwardly rectifying, subfamily J, member 11/Sulfonylurea receptor 2


(Homo sapiens (Human))
BDBM50357205
PNG
(CHEMBL1914844 | CHEMBL1963594)
Show SMILES Cc1ccc(cc1)N1CCN(CC(O)COc2ccccc2C(=O)CCc2ccccc2)CC1
Show InChI InChI=1S/C29H34N2O3/c1-23-11-14-25(15-12-23)31-19-17-30(18-20-31)21-26(32)22-34-29-10-6-5-9-27(29)28(33)16-13-24-7-3-2-4-8-24/h2-12,14-15,26,32H,13,16-22H2,1H3
PDB

Reactome pathway
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PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human kir6.2/SUR2A ion channel coexpressed in human HEK293 cells after 5 mins by patch clamp assay


J Med Chem 54: 7477-85 (2011)


Article DOI: 10.1021/jm2005546
BindingDB Entry DOI: 10.7270/Q2SQ90T5
More data for this
Ligand-Target Pair