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BDBM50414975 CHEMBL584087

SMILES: CC1(C)Oc2cccc(CN3CCC4(CC3)CCN(CC4)C(=O)c3ccnc(N)c3)c2O1

InChI Key: InChIKey=CSPRWLXCNMAWKC-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50414975   
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))
BDBM50414975
PNG
(CHEMBL584087)
Show SMILES CC1(C)Oc2cccc(CN3CCC4(CC3)CCN(CC4)C(=O)c3ccnc(N)c3)c2O1
Show InChI InChI=1S/C25H32N4O3/c1-24(2)31-20-5-3-4-19(22(20)32-24)17-28-12-7-25(8-13-28)9-14-29(15-10-25)23(30)18-6-11-27-21(26)16-18/h3-6,11,16H,7-10,12-15,17H2,1-2H3,(H2,26,27)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 759n/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))
BDBM50414975
PNG
(CHEMBL584087)
Show SMILES CC1(C)Oc2cccc(CN3CCC4(CC3)CCN(CC4)C(=O)c3ccnc(N)c3)c2O1
Show InChI InChI=1S/C25H32N4O3/c1-24(2)31-20-5-3-4-19(22(20)32-24)17-28-12-7-25(8-13-28)9-14-29(15-10-25)23(30)18-6-11-27-21(26)16-18/h3-6,11,16H,7-10,12-15,17H2,1-2H3,(H2,26,27)
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antibodypedia
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PC sid
UniChem
Article
PubMed
n/an/a 6.61n/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))
BDBM50414975
PNG
(CHEMBL584087)
Show SMILES CC1(C)Oc2cccc(CN3CCC4(CC3)CCN(CC4)C(=O)c3ccnc(N)c3)c2O1
Show InChI InChI=1S/C25H32N4O3/c1-24(2)31-20-5-3-4-19(22(20)32-24)17-28-12-7-25(8-13-28)9-14-29(15-10-25)23(30)18-6-11-27-21(26)16-18/h3-6,11,16H,7-10,12-15,17H2,1-2H3,(H2,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.66E+4n/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