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BDBM50160699 CHEMBL3786460

SMILES: CC(C)(C)NC(=O)C1N(Cc2ccccc2-c2ccc(F)c(F)c2)C(=O)c2ccccc12

InChI Key: InChIKey=CEUDRLRJBJINQH-GOSISDBHSA-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 = 50160699   
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))
BDBM50160699
PNG
(CHEMBL3786460)
Show SMILES CC(C)(C)NC(=O)C1N(Cc2ccccc2-c2ccc(F)c(F)c2)C(=O)c2ccccc12
Show InChI InChI=1S/C22H33Cl2N7O2S/c1-14(2)18(28-22(25)26)7-10-27-34(32,33)31-11-8-15(9-12-31)20-13-19(29-30(20)3)16-5-4-6-17(23)21(16)24/h4-6,13-15,18,27H,7-12H2,1-3H3,(H4,25,26,28)/t18-/m1/s1
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PC cid
PC sid
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Similars

PubMed
n/an/a 1.50E+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)


BindingDB Entry DOI: 10.7270/Q2D220HH
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50160699
PNG
(CHEMBL3786460)
Show SMILES CC(C)(C)NC(=O)C1N(Cc2ccccc2-c2ccc(F)c(F)c2)C(=O)c2ccccc12
Show InChI InChI=1S/C22H33Cl2N7O2S/c1-14(2)18(28-22(25)26)7-10-27-34(32,33)31-11-8-15(9-12-31)20-13-19(29-30(20)3)16-5-4-6-17(23)21(16)24/h4-6,13-15,18,27H,7-12H2,1-3H3,(H4,25,26,28)/t18-/m1/s1
PDB
MMDB

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PC sid
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PubMed
n/an/a>3.10E+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)


BindingDB Entry DOI: 10.7270/Q2D220HH
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50160699
PNG
(CHEMBL3786460)
Show SMILES CC(C)(C)NC(=O)C1N(Cc2ccccc2-c2ccc(F)c(F)c2)C(=O)c2ccccc12
Show InChI InChI=1S/C22H33Cl2N7O2S/c1-14(2)18(28-22(25)26)7-10-27-34(32,33)31-11-8-15(9-12-31)20-13-19(29-30(20)3)16-5-4-6-17(23)21(16)24/h4-6,13-15,18,27H,7-12H2,1-3H3,(H4,25,26,28)/t18-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
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)


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


(Homo sapiens (Human))
BDBM50160699
PNG
(CHEMBL3786460)
Show SMILES CC(C)(C)NC(=O)C1N(Cc2ccccc2-c2ccc(F)c(F)c2)C(=O)c2ccccc12
Show InChI InChI=1S/C22H33Cl2N7O2S/c1-14(2)18(28-22(25)26)7-10-27-34(32,33)31-11-8-15(9-12-31)20-13-19(29-30(20)3)16-5-4-6-17(23)21(16)24/h4-6,13-15,18,27H,7-12H2,1-3H3,(H4,25,26,28)/t18-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.10E+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)


BindingDB Entry DOI: 10.7270/Q2D220HH
More data for this
Ligand-Target Pair