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BDBM50160697 CHEMBL3785335

SMILES: CC(C)(C)NC(=O)C1N(Cc2ccc(F)cc2-c2ccccc2)C(=O)c2ccccc12

InChI Key: InChIKey=CXHPPIVFAAVCOK-CYBMUJFWSA-N

Data: 4 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 4 hits for monomerid = 50160697   
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
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50160697
PNG
(CHEMBL3785335)
Show SMILES CC(C)(C)NC(=O)C1N(Cc2ccc(F)cc2-c2ccccc2)C(=O)c2ccccc12
Show InChI InChI=1S/C21H29Cl2N7O/c1-13(27-20(24)25)6-9-26-21(31)30-10-7-14(8-11-30)18-12-17(28-29(18)2)15-4-3-5-16(22)19(15)23/h3-5,12-14H,6-11H2,1-2H3,(H,26,31)(H4,24,25,27)/t13-/m1/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel by QPatch-clamp method


Bioorg Med Chem Lett 26: 2023-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.081
BindingDB Entry DOI: 10.7270/Q2D220HH
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50160697
PNG
(CHEMBL3785335)
Show SMILES CC(C)(C)NC(=O)C1N(Cc2ccc(F)cc2-c2ccccc2)C(=O)c2ccccc12
Show InChI InChI=1S/C21H29Cl2N7O/c1-13(27-20(24)25)6-9-26-21(31)30-10-7-14(8-11-30)18-12-17(28-29(18)2)15-4-3-5-16(22)19(15)23/h3-5,12-14H,6-11H2,1-2H3,(H,26,31)(H4,24,25,27)/t13-/m1/s1
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n/an/a>3.30E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 26: 2023-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.081
BindingDB Entry DOI: 10.7270/Q2D220HH
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50160697
PNG
(CHEMBL3785335)
Show SMILES CC(C)(C)NC(=O)C1N(Cc2ccc(F)cc2-c2ccccc2)C(=O)c2ccccc12
Show InChI InChI=1S/C21H29Cl2N7O/c1-13(27-20(24)25)6-9-26-21(31)30-10-7-14(8-11-30)18-12-17(28-29(18)2)15-4-3-5-16(22)19(15)23/h3-5,12-14H,6-11H2,1-2H3,(H,26,31)(H4,24,25,27)/t13-/m1/s1
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PubMed
n/an/a>3.20E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 26: 2023-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.081
BindingDB Entry DOI: 10.7270/Q2D220HH
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50160697
PNG
(CHEMBL3785335)
Show SMILES CC(C)(C)NC(=O)C1N(Cc2ccc(F)cc2-c2ccccc2)C(=O)c2ccccc12
Show InChI InChI=1S/C21H29Cl2N7O/c1-13(27-20(24)25)6-9-26-21(31)30-10-7-14(8-11-30)18-12-17(28-29(18)2)15-4-3-5-16(22)19(15)23/h3-5,12-14H,6-11H2,1-2H3,(H,26,31)(H4,24,25,27)/t13-/m1/s1
PDB

Reactome pathway

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antibodypedia
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Article
PubMed
n/an/a 800n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel by QPatch-clamp method


Bioorg Med Chem Lett 26: 2023-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.081
BindingDB Entry DOI: 10.7270/Q2D220HH
More data for this
Ligand-Target Pair