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SMILES: CCN(C)C(=O)c1ccc(cc1)[C@@H](N1CCN(Cc2ccccn2)CC1)c1cccnc1

InChI Key: InChIKey=FDLRWQBJULJDBB-RUZDIDTESA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50362296   
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))
BDBM50362296
PNG
(CHEMBL1939753)
Show SMILES CCN(C)C(=O)c1ccc(cc1)[C@@H](N1CCN(Cc2ccccn2)CC1)c1cccnc1 |r|
Show InChI InChI=1S/C26H31N5O/c1-3-29(2)26(32)22-11-9-21(10-12-22)25(23-7-6-13-27-19-23)31-17-15-30(16-18-31)20-24-8-4-5-14-28-24/h4-14,19,25H,3,15-18,20H2,1-2H3/t25-/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30E+4n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human Erg


Bioorg Med Chem Lett 22: 1169-73 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.088
BindingDB Entry DOI: 10.7270/Q269741B
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50362296
PNG
(CHEMBL1939753)
Show SMILES CCN(C)C(=O)c1ccc(cc1)[C@@H](N1CCN(Cc2ccccn2)CC1)c1cccnc1 |r|
Show InChI InChI=1S/C26H31N5O/c1-3-29(2)26(32)22-11-9-21(10-12-22)25(23-7-6-13-27-19-23)31-17-15-30(16-18-31)20-24-8-4-5-14-28-24/h4-14,19,25H,3,15-18,20H2,1-2H3/t25-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [I125]deltorphin from delta-opioid receptor overexpressed in human HEK293 cells


Bioorg Med Chem Lett 22: 1169-73 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.088
BindingDB Entry DOI: 10.7270/Q269741B
More data for this
Ligand-Target Pair