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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 = 'BDBM50034243'   
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


(Homo sapiens (Human))
BDBM50034243
PNG
((S)-3-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1c(C)c(C)c(C)c(C)c1C)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C42H62N8O10/c1-19(2)35(41(59)45-18-33(44)52)50-42(60)36(20(3)4)49-40(58)32(17-34(53)54)48-39(57)31(16-29-24(8)22(6)21(5)23(7)25(29)9)47-37(55)26(10)46-38(56)30(43)15-27-11-13-28(51)14-12-27/h11-14,19-20,26,30-32,35-36,51H,15-18,43H2,1-10H3,(H2,44,52)(H,45,59)(H,46,56)(H,47,55)(H,48,57)(H,49,58)(H,50,60)(H,53,54)/t26-,30-,31-,32-,35-,36-/m0/s1
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PC cid
PC sid
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Similars

PubMed
1.00E+4n/an/an/an/an/an/an/an/a



Eastern Michigan University

Curated by ChEMBL


Assay Description
Inhibition of [3H]- DPDPE binding to delta opioid receptor of guinea pig brain


J Med Chem 38: 1242-6 (1995)


BindingDB Entry DOI: 10.7270/Q21835J2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50034243
PNG
((S)-3-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1c(C)c(C)c(C)c(C)c1C)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C42H62N8O10/c1-19(2)35(41(59)45-18-33(44)52)50-42(60)36(20(3)4)49-40(58)32(17-34(53)54)48-39(57)31(16-29-24(8)22(6)21(5)23(7)25(29)9)47-37(55)26(10)46-38(56)30(43)15-27-11-13-28(51)14-12-27/h11-14,19-20,26,30-32,35-36,51H,15-18,43H2,1-10H3,(H2,44,52)(H,45,59)(H,46,56)(H,47,55)(H,48,57)(H,49,58)(H,50,60)(H,53,54)/t26-,30-,31-,32-,35-,36-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
1.00E+4n/an/an/an/an/an/an/an/a



Eastern Michigan University

Curated by ChEMBL


Assay Description
Inhibition of [3H]- DPDPE binding to delta opioid receptor of guinea pig brain


J Med Chem 38: 1242-6 (1995)


BindingDB Entry DOI: 10.7270/Q21835J2
More data for this
Ligand-Target Pair