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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50041669'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Delta-type opioid receptor


(MOUSE)
BDBM50041669
PNG
(2-Amino-N-(7-benzyl-4-dihydroxymethyl-3,3,10,14,14...)
Show SMILES CC1NC(=O)C(NC(=O)C(N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)C(NC(=O)C(Cc2ccccc2)NC1=O)C(O)O
Show InChI InChI=1S/C31H43N5O7S2/c1-17-25(38)34-22(16-18-9-7-6-8-10-18)27(40)36-24(29(42)43)31(4,5)45-44-30(2,3)23(28(41)33-17)35-26(39)21(32)15-19-11-13-20(37)14-12-19/h6-14,17,21-24,29,37,42-43H,15-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)
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PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 12n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity of the electrically induced smooth muscle contraction of mouse vas deferens


J Med Chem 37: 1572-7 (1994)


BindingDB Entry DOI: 10.7270/Q2DR2W47
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50041669
PNG
(2-Amino-N-(7-benzyl-4-dihydroxymethyl-3,3,10,14,14...)
Show SMILES CC1NC(=O)C(NC(=O)C(N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)C(NC(=O)C(Cc2ccccc2)NC1=O)C(O)O
Show InChI InChI=1S/C31H43N5O7S2/c1-17-25(38)34-22(16-18-9-7-6-8-10-18)27(40)36-24(29(42)43)31(4,5)45-44-30(2,3)23(28(41)33-17)35-26(39)21(32)15-19-11-13-20(37)14-12-19/h6-14,17,21-24,29,37,42-43H,15-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 18n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Evaluation for the binding affinity by competitive inhibition of [3H]- p-chloro DPDPE binding


J Med Chem 37: 1572-7 (1994)


BindingDB Entry DOI: 10.7270/Q2DR2W47
More data for this
Ligand-Target Pair