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SMILES: CN(CCO)C(=O)c1ccc(cc1)[C@@H](N1CCN(Cc2ccc(F)cc2)CC1)c1cccc(NC(=O)C2CC2)c1

InChI Key: InChIKey=PSKBLTTURNPFTI-SSEXGKCCSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50362293   
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))
BDBM50362293
PNG
(CHEMBL1939738)
Show SMILES CN(CCO)C(=O)c1ccc(cc1)[C@@H](N1CCN(Cc2ccc(F)cc2)CC1)c1cccc(NC(=O)C2CC2)c1 |r|
Show InChI InChI=1S/C32H37FN4O3/c1-35(19-20-38)32(40)26-11-7-24(8-12-26)30(27-3-2-4-29(21-27)34-31(39)25-9-10-25)37-17-15-36(16-18-37)22-23-5-13-28(33)14-6-23/h2-8,11-14,21,25,30,38H,9-10,15-20,22H2,1H3,(H,34,39)/t30-/m1/s1
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MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 1.50E+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))
BDBM50362293
PNG
(CHEMBL1939738)
Show SMILES CN(CCO)C(=O)c1ccc(cc1)[C@@H](N1CCN(Cc2ccc(F)cc2)CC1)c1cccc(NC(=O)C2CC2)c1 |r|
Show InChI InChI=1S/C32H37FN4O3/c1-35(19-20-38)32(40)26-11-7-24(8-12-26)30(27-3-2-4-29(21-27)34-31(39)25-9-10-25)37-17-15-36(16-18-37)22-23-5-13-28(33)14-6-23/h2-8,11-14,21,25,30,38H,9-10,15-20,22H2,1H3,(H,34,39)/t30-/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 0.270n/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