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SMILES: CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1CCN(Cc2ccccn2)CC1)c1cccc(NC(=O)C2CC2)c1

InChI Key: InChIKey=PWQQSPQAPCATHL-SSEXGKCCSA-N

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50362312   
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))
BDBM50362312
PNG
(CHEMBL1939740)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1CCN(Cc2ccccn2)CC1)c1cccc(NC(=O)C2CC2)c1 |r|
Show InChI InChI=1S/C32H39N5O2/c1-3-36(4-2)32(39)26-15-11-24(12-16-26)30(27-8-7-10-28(22-27)34-31(38)25-13-14-25)37-20-18-35(19-21-37)23-29-9-5-6-17-33-29/h5-12,15-17,22,25,30H,3-4,13-14,18-21,23H2,1-2H3,(H,34,38)/t30-/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+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))
BDBM50362312
PNG
(CHEMBL1939740)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1CCN(Cc2ccccn2)CC1)c1cccc(NC(=O)C2CC2)c1 |r|
Show InChI InChI=1S/C32H39N5O2/c1-3-36(4-2)32(39)26-15-11-24(12-16-26)30(27-8-7-10-28(22-27)34-31(38)25-13-14-25)37-20-18-35(19-21-37)23-29-9-5-6-17-33-29/h5-12,15-17,22,25,30H,3-4,13-14,18-21,23H2,1-2H3,(H,34,38)/t30-/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 0.0680n/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