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BDBM50414965 CHEMBL270971

SMILES: COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1cc[n+]([O-])cc1

InChI Key: InChIKey=DVQXAHGZSWJSQT-UHFFFAOYSA-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 = 50414965   
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
C-C chemokine receptor type 8


(Homo sapiens (Human))
BDBM50414965
PNG
(CHEMBL270971)
Show SMILES COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1cc[n+]([O-])cc1
Show InChI InChI=1S/C29H33N3O4/c1-35-26-8-4-5-9-27(26)36-25-7-3-2-6-24(25)22-30-18-12-29(13-19-30)14-20-31(21-15-29)28(33)23-10-16-32(34)17-11-23/h2-11,16-17H,12-15,18-22H2,1H3
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n/an/a 115n/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))
BDBM50414965
PNG
(CHEMBL270971)
Show SMILES COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1cc[n+]([O-])cc1
Show InChI InChI=1S/C29H33N3O4/c1-35-26-8-4-5-9-27(26)36-25-7-3-2-6-24(25)22-30-18-12-29(13-19-30)14-20-31(21-15-29)28(33)23-10-16-32(34)17-11-23/h2-11,16-17H,12-15,18-22H2,1H3
PDB
MMDB

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n/an/a 219n/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
C-C chemokine receptor type 8


(Homo sapiens (Human))
BDBM50414965
PNG
(CHEMBL270971)
Show SMILES COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1cc[n+]([O-])cc1
Show InChI InChI=1S/C29H33N3O4/c1-35-26-8-4-5-9-27(26)36-25-7-3-2-6-24(25)22-30-18-12-29(13-19-30)14-20-31(21-15-29)28(33)23-10-16-32(34)17-11-23/h2-11,16-17H,12-15,18-22H2,1H3
Reactome pathway
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PC sid
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PubMed
n/an/a 115n/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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50414965
PNG
(CHEMBL270971)
Show SMILES COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1cc[n+]([O-])cc1
Show InChI InChI=1S/C29H33N3O4/c1-35-26-8-4-5-9-27(26)36-25-7-3-2-6-24(25)22-30-18-12-29(13-19-30)14-20-31(21-15-29)28(33)23-10-16-32(34)17-11-23/h2-11,16-17H,12-15,18-22H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 209n/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