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Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 50068133   
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))
BDBM50068133
PNG
((4S,7S,13S)-13-[(S)-2-Amino-3-(4-hydroxy-phenyl)-p...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H38ClN5O7S2/c1-29(2)23(35-25(39)20(32)13-16-7-11-19(37)12-8-16)27(41)33-15-22(38)34-21(14-17-5-9-18(31)10-6-17)26(40)36-24(28(42)43)30(3,4)45-44-29/h5-12,20-21,23-24,37H,13-15,32H2,1-4H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t20-,21-,23-,24-/m0/s1
PDB

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PC cid
PC sid
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Similars

Article
PubMed
0.300n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled DPDPE-Cl from delta opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50068133
PNG
((4S,7S,13S)-13-[(S)-2-Amino-3-(4-hydroxy-phenyl)-p...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H38ClN5O7S2/c1-29(2)23(35-25(39)20(32)13-16-7-11-19(37)12-8-16)27(41)33-15-22(38)34-21(14-17-5-9-18(31)10-6-17)26(40)36-24(28(42)43)30(3,4)45-44-29/h5-12,20-21,23-24,37H,13-15,32H2,1-4H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t20-,21-,23-,24-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
180n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled DAMGO from mu opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Nociceptin receptor


(Cavia porcellus)
BDBM50068133
PNG
((4S,7S,13S)-13-[(S)-2-Amino-3-(4-hydroxy-phenyl)-p...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H38ClN5O7S2/c1-29(2)23(35-25(39)20(32)13-16-7-11-19(37)12-8-16)27(41)33-15-22(38)34-21(14-17-5-9-18(31)10-6-17)26(40)36-24(28(42)43)30(3,4)45-44-29/h5-12,20-21,23-24,37H,13-15,32H2,1-4H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t20-,21-,23-,24-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
1.03E+3n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled NalBzOH from kappa3 opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50068133
PNG
((4S,7S,13S)-13-[(S)-2-Amino-3-(4-hydroxy-phenyl)-p...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H38ClN5O7S2/c1-29(2)23(35-25(39)20(32)13-16-7-11-19(37)12-8-16)27(41)33-15-22(38)34-21(14-17-5-9-18(31)10-6-17)26(40)36-24(28(42)43)30(3,4)45-44-29/h5-12,20-21,23-24,37H,13-15,32H2,1-4H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t20-,21-,23-,24-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled U69593 from kappa1 opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair