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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for monomerid = 50414959   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50414959
PNG
(CHEMBL409224)
Show SMILES COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C30H33ClN2O3/c1-35-27-8-4-5-9-28(27)36-26-7-3-2-6-24(26)22-32-18-14-30(15-19-32)16-20-33(21-17-30)29(34)23-10-12-25(31)13-11-23/h2-13H,14-22H2,1H3
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PubMed
n/an/a 2.51n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human recombinant ERG expressed in HEK293 cells by patch clamp method


J Med Chem 52: 7706-23 (2009)


Article DOI: 10.1021/jm900713y
BindingDB Entry DOI: 10.7270/Q2TH8NZP
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))
BDBM50414959
PNG
(CHEMBL409224)
Show SMILES COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C30H33ClN2O3/c1-35-27-8-4-5-9-28(27)36-26-7-3-2-6-24(26)22-32-18-14-30(15-19-32)16-20-33(21-17-30)29(34)23-10-12-25(31)13-11-23/h2-13H,14-22H2,1H3
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n/an/a 34.7n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR8


J Med Chem 52: 7706-23 (2009)


Article DOI: 10.1021/jm900713y
BindingDB Entry DOI: 10.7270/Q2TH8NZP
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))
BDBM50414959
PNG
(CHEMBL409224)
Show SMILES COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C30H33ClN2O3/c1-35-27-8-4-5-9-28(27)36-26-7-3-2-6-24(26)22-32-18-14-30(15-19-32)16-20-33(21-17-30)29(34)23-10-12-25(31)13-11-23/h2-13H,14-22H2,1H3
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n/an/a 35n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at CCR8 receptor


J Med Chem 51: 1162-78 (2008)


Article DOI: 10.1021/jm070543k
BindingDB Entry DOI: 10.7270/Q2C24XMG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50414959
PNG
(CHEMBL409224)
Show SMILES COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C30H33ClN2O3/c1-35-27-8-4-5-9-28(27)36-26-7-3-2-6-24(26)22-32-18-14-30(15-19-32)16-20-33(21-17-30)29(34)23-10-12-25(31)13-11-23/h2-13H,14-22H2,1H3
PDB
MMDB

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Article
PubMed
n/an/a 87.1n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of wild type human ERG expressed in CHOK1 cells by whole-cell plate-based electrophysiology


J Med Chem 52: 7706-23 (2009)


Article DOI: 10.1021/jm900713y
BindingDB Entry DOI: 10.7270/Q2TH8NZP
More data for this
Ligand-Target Pair