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PubMed code 8893842

Compile data set for download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
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
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50054439
PNG
((S)-3-Amino-N-[3-((S)-1-{[2-(3,4-dichloro-phenyl)-...)
Show SMILES CN([C@H](CN1CCCC1)c1cccc(NC(=O)[C@@H](N)CC(O)=O)c1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C25H30Cl2N4O4/c1-30(23(32)12-16-7-8-19(26)20(27)11-16)22(15-31-9-2-3-10-31)17-5-4-6-18(13-17)29-25(35)21(28)14-24(33)34/h4-8,11,13,21-22H,2-3,9-10,12,14-15,28H2,1H3,(H,29,35)(H,33,34)/t21-,22+/m0/s1
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PubMed
0.340n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Compound was tested for the binding affinity and selectivity by competitive inhibition of radioligands on opoid kappa receptor in guinea pig brain me...


J Med Chem 39: 4478-82 (1996)


Article DOI: 10.1021/jm960459x
BindingDB Entry DOI: 10.7270/Q2N878WW
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50054440
PNG
((R)-3-Amino-N-[3-((S)-1-{[2-(3,4-dichloro-phenyl)-...)
Show SMILES CN([C@H](CN1CCCC1)c1cccc(NC(=O)[C@H](N)CC(O)=O)c1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C25H30Cl2N4O4/c1-30(23(32)12-16-7-8-19(26)20(27)11-16)22(15-31-9-2-3-10-31)17-5-4-6-18(13-17)29-25(35)21(28)14-24(33)34/h4-8,11,13,21-22H,2-3,9-10,12,14-15,28H2,1H3,(H,29,35)(H,33,34)/t21-,22-/m1/s1
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PubMed
1.20n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Compound was tested for the binding affinity and selectivity by competitive inhibition of radioligands on Opioid receptor kappa 1 in guinea pig brain...


J Med Chem 39: 4478-82 (1996)


Article DOI: 10.1021/jm960459x
BindingDB Entry DOI: 10.7270/Q2N878WW
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50054440
PNG
((R)-3-Amino-N-[3-((S)-1-{[2-(3,4-dichloro-phenyl)-...)
Show SMILES CN([C@H](CN1CCCC1)c1cccc(NC(=O)[C@H](N)CC(O)=O)c1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C25H30Cl2N4O4/c1-30(23(32)12-16-7-8-19(26)20(27)11-16)22(15-31-9-2-3-10-31)17-5-4-6-18(13-17)29-25(35)21(28)14-24(33)34/h4-8,11,13,21-22H,2-3,9-10,12,14-15,28H2,1H3,(H,29,35)(H,33,34)/t21-,22-/m1/s1
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PubMed
280n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Compound was tested for the binding affinity and selectivity by competitive inhibition of radioligands on opioid Mu receptor in guinea pig brain memb...


J Med Chem 39: 4478-82 (1996)


Article DOI: 10.1021/jm960459x
BindingDB Entry DOI: 10.7270/Q2N878WW
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50054439
PNG
((S)-3-Amino-N-[3-((S)-1-{[2-(3,4-dichloro-phenyl)-...)
Show SMILES CN([C@H](CN1CCCC1)c1cccc(NC(=O)[C@@H](N)CC(O)=O)c1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C25H30Cl2N4O4/c1-30(23(32)12-16-7-8-19(26)20(27)11-16)22(15-31-9-2-3-10-31)17-5-4-6-18(13-17)29-25(35)21(28)14-24(33)34/h4-8,11,13,21-22H,2-3,9-10,12,14-15,28H2,1H3,(H,29,35)(H,33,34)/t21-,22+/m0/s1
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Article
PubMed
462n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Compound was tested for the binding affinity and selectivity by competitive inhibition of radioligands on opioid Mu receptor in guinea pig brain memb...


J Med Chem 39: 4478-82 (1996)


Article DOI: 10.1021/jm960459x
BindingDB Entry DOI: 10.7270/Q2N878WW
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50054440
PNG
((R)-3-Amino-N-[3-((S)-1-{[2-(3,4-dichloro-phenyl)-...)
Show SMILES CN([C@H](CN1CCCC1)c1cccc(NC(=O)[C@H](N)CC(O)=O)c1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C25H30Cl2N4O4/c1-30(23(32)12-16-7-8-19(26)20(27)11-16)22(15-31-9-2-3-10-31)17-5-4-6-18(13-17)29-25(35)21(28)14-24(33)34/h4-8,11,13,21-22H,2-3,9-10,12,14-15,28H2,1H3,(H,29,35)(H,33,34)/t21-,22-/m1/s1
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PubMed
573n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Compound was tested for the binding affinity and selectivity by competitive inhibition of radioligands on opioid delta receptor in guinea pig brain m...


J Med Chem 39: 4478-82 (1996)


Article DOI: 10.1021/jm960459x
BindingDB Entry DOI: 10.7270/Q2N878WW
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50054439
PNG
((S)-3-Amino-N-[3-((S)-1-{[2-(3,4-dichloro-phenyl)-...)
Show SMILES CN([C@H](CN1CCCC1)c1cccc(NC(=O)[C@@H](N)CC(O)=O)c1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C25H30Cl2N4O4/c1-30(23(32)12-16-7-8-19(26)20(27)11-16)22(15-31-9-2-3-10-31)17-5-4-6-18(13-17)29-25(35)21(28)14-24(33)34/h4-8,11,13,21-22H,2-3,9-10,12,14-15,28H2,1H3,(H,29,35)(H,33,34)/t21-,22+/m0/s1
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PubMed
1.07E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Compound was tested for the binding affinity and selectivity by competitive inhibition of radioligands on opioid delta receptor in guinea pig brain m...


J Med Chem 39: 4478-82 (1996)


Article DOI: 10.1021/jm960459x
BindingDB Entry DOI: 10.7270/Q2N878WW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%