BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM21136'   
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))
BDBM21136
PNG
((3S)-3-[(2S)-2-[(2S)-2-(2-{2-[(2S)-2-amino-3-(4-hy...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C44H55N9O10/c1-3-4-14-36(43(62)52-34(22-39(57)58)42(61)51-33(40(46)59)20-26-10-6-5-7-11-26)53(2)44(63)35(21-28-23-47-32-13-9-8-12-30(28)32)50-38(56)25-48-37(55)24-49-41(60)31(45)19-27-15-17-29(54)18-16-27/h5-13,15-18,23,31,33-36,47,54H,3-4,14,19-22,24-25,45H2,1-2H3,(H2,46,59)(H,48,55)(H,49,60)(H,50,56)(H,51,61)(H,52,62)(H,57,58)/t31-,33-,34-,35-,36-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
85 -40.4n/an/a 76n/an/a7.425



University of Arizona at Tucson



Assay Description
Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...


J Med Chem 49: 2868-75 (2006)


Article DOI: 10.1021/jm050921q
BindingDB Entry DOI: 10.7270/Q24Q7S99
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM21136
PNG
((3S)-3-[(2S)-2-[(2S)-2-(2-{2-[(2S)-2-amino-3-(4-hy...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C44H55N9O10/c1-3-4-14-36(43(62)52-34(22-39(57)58)42(61)51-33(40(46)59)20-26-10-6-5-7-11-26)53(2)44(63)35(21-28-23-47-32-13-9-8-12-30(28)32)50-38(56)25-48-37(55)24-49-41(60)31(45)19-27-15-17-29(54)18-16-27/h5-13,15-18,23,31,33-36,47,54H,3-4,14,19-22,24-25,45H2,1-2H3,(H2,46,59)(H,48,55)(H,49,60)(H,50,56)(H,51,61)(H,52,62)(H,57,58)/t31-,33-,34-,35-,36-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.00E+3n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 was determined


J Med Chem 46: 4215-31 (2003)


Article DOI: 10.1021/jm0303103
BindingDB Entry DOI: 10.7270/Q2JW8FM1
More data for this
Ligand-Target Pair