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SMILES: CCN(CC)S(=O)(=O)c1ccc(cc1)C(N1CCNCC1)c1ccccc1

InChI Key: InChIKey=BVBMPXYNTVNBOJ-UHFFFAOYSA-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 = 50092693   
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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50092693
PNG
(CHEMBL339621 | N,N-Diethyl-4-(phenyl-piperazin-1-y...)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(cc1)C(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C21H29N3O2S/c1-3-24(4-2)27(25,26)20-12-10-19(11-13-20)21(18-8-6-5-7-9-18)23-16-14-22-15-17-23/h5-13,21-22H,3-4,14-17H2,1-2H3
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DrugBank
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 38n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity against human opioid receptor delta 1 using [125I]-[D-Ala2]-deltorphin II as radioligand


J Med Chem 43: 3878-94 (2000)


BindingDB Entry DOI: 10.7270/Q2QN661W
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50092693
PNG
(CHEMBL339621 | N,N-Diethyl-4-(phenyl-piperazin-1-y...)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(cc1)C(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C21H29N3O2S/c1-3-24(4-2)27(25,26)20-12-10-19(11-13-20)21(18-8-6-5-7-9-18)23-16-14-22-15-17-23/h5-13,21-22H,3-4,14-17H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 635n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency was measured using GTP gamma-[35S] binding assay


J Med Chem 43: 3878-94 (2000)


BindingDB Entry DOI: 10.7270/Q2QN661W
More data for this
Ligand-Target Pair