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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 = 'BDBM50000800'   
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)
BDBM50000800
PNG
(13-[2-Amino-3-(4-hydroxy-3-iodo-phenyl)-propionyla...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)c(I)c2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H38IN5O7S2/c1-29(2)23(35-25(39)19(32)13-17-10-11-21(37)18(31)12-17)27(41)33-15-22(38)34-20(14-16-8-6-5-7-9-16)26(40)36-24(28(42)43)30(3,4)45-44-29/h5-12,19-20,23-24,37H,13-15,32H2,1-4H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t19-,20-,23-,24-/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 262n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory potency against Opioid receptor delta 1 of Mouse vas deferens


J Med Chem 35: 2384-91 (1992)


Article DOI: 10.1021/jm00091a006
BindingDB Entry DOI: 10.7270/Q2DF6Q4K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50000800
PNG
(13-[2-Amino-3-(4-hydroxy-3-iodo-phenyl)-propionyla...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)c(I)c2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H38IN5O7S2/c1-29(2)23(35-25(39)19(32)13-17-10-11-21(37)18(31)12-17)27(41)33-15-22(38)34-20(14-16-8-6-5-7-9-16)26(40)36-24(28(42)43)30(3,4)45-44-29/h5-12,19-20,23-24,37H,13-15,32H2,1-4H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t19-,20-,23-,24-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.46E+4n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory potency against delta opioid receptors of Guinea pig ileum


J Med Chem 35: 2384-91 (1992)


Article DOI: 10.1021/jm00091a006
BindingDB Entry DOI: 10.7270/Q2DF6Q4K
More data for this
Ligand-Target Pair