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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Opioid receptors; mu & delta' and Ligand = 'BDBM50083160'   
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
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50083160
PNG
((S)-2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...)
Show SMILES C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2
Show InChI InChI=1S/C34H44N4O4/c1-19-8-27(39)9-20(2)28(19)14-29(35)33(42)38-18-26-7-5-4-6-25(26)13-30(38)32(41)36-21(3)31(40)37-34-15-22-10-23(16-34)12-24(11-22)17-34/h4-9,21-24,29-30,39H,10-18,35H2,1-3H3,(H,36,41)(H,37,40)/t21-,22-,23+,24-,29-,30-,34?/m0/s1
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UniProtKB/SwissProt

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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0400n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor delta 1 from rat brain synaptosomal preparations by H-Dmt-Tic-OH displacement.


J Med Chem 42: 5010-9 (2000)


Article DOI: 10.1021/jm990165m
BindingDB Entry DOI: 10.7270/Q2VX0FQG
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50083160
PNG
((S)-2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...)
Show SMILES C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2
Show InChI InChI=1S/C34H44N4O4/c1-19-8-27(39)9-20(2)28(19)14-29(35)33(42)38-18-26-7-5-4-6-25(26)13-30(38)32(41)36-21(3)31(40)37-34-15-22-10-23(16-34)12-24(11-22)17-34/h4-9,21-24,29-30,39H,10-18,35H2,1-3H3,(H,36,41)(H,37,40)/t21-,22-,23+,24-,29-,30-,34?/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0730n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor delta 1 from rat brain synaptosomal preparations by [3H]N,N-(Me)2-Dmt-Tic-OH displacement.


J Med Chem 42: 5010-9 (2000)


Article DOI: 10.1021/jm990165m
BindingDB Entry DOI: 10.7270/Q2VX0FQG
More data for this
Ligand-Target Pair