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

InChI Key: InChIKey=DTQRXXAMMSJGIJ-WJOKGBTCSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50362294   
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))
BDBM50362294
PNG
(CHEMBL1939737)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1CCN(Cc2ccc(F)cc2)CC1)c1cccc(NC(=O)C2CC2)c1 |r|
Show InChI InChI=1S/C33H39FN4O2/c1-3-37(4-2)33(40)27-14-10-25(11-15-27)31(28-6-5-7-30(22-28)35-32(39)26-12-13-26)38-20-18-36(19-21-38)23-24-8-16-29(34)17-9-24/h5-11,14-17,22,26,31H,3-4,12-13,18-21,23H2,1-2H3,(H,35,39)/t31-/m1/s1
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10E+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))
BDBM50362294
PNG
(CHEMBL1939737)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1CCN(Cc2ccc(F)cc2)CC1)c1cccc(NC(=O)C2CC2)c1 |r|
Show InChI InChI=1S/C33H39FN4O2/c1-3-37(4-2)33(40)27-14-10-25(11-15-27)31(28-6-5-7-30(22-28)35-32(39)26-12-13-26)38-20-18-36(19-21-38)23-24-8-16-29(34)17-9-24/h5-11,14-17,22,26,31H,3-4,12-13,18-21,23H2,1-2H3,(H,35,39)/t31-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 0.290n/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