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PubMed code 8201586

Compile data set for download or QSAR
Found 3 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))		BDBM50035471
PNG
(2-(3,4-Dichloro-phenyl)-N-[(S)-1-(3-isothiocyanato...)
Show SMILES CN([C@H](CN1CCCC1)c1cccc(c1)N=C=S)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H23Cl2N3OS/c1-26(22(28)12-16-7-8-19(23)20(24)11-16)21(14-27-9-2-3-10-27)17-5-4-6-18(13-17)25-15-29/h4-8,11,13,21H,2-3,9-10,12,14H2,1H3/t21-/m1/s1
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n/an/a 2.20n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity of compound towards kappa receptor by using radioligand [3H]-U-69,593 on guinea pig brain membranes

J Med Chem 37: 1547-9 (1994)


BindingDB Entry DOI: 10.7270/Q24X56T9
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50035471
PNG
(2-(3,4-Dichloro-phenyl)-N-[(S)-1-(3-isothiocyanato...)
Show SMILES CN([C@H](CN1CCCC1)c1cccc(c1)N=C=S)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H23Cl2N3OS/c1-26(22(28)12-16-7-8-19(23)20(24)11-16)21(14-27-9-2-3-10-27)17-5-4-6-18(13-17)25-15-29/h4-8,11,13,21H,2-3,9-10,12,14H2,1H3/t21-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity of compound towards delta receptor by using radioligand [SHIDPDPE on guinea pig brain membranes

J Med Chem 37: 1547-9 (1994)


BindingDB Entry DOI: 10.7270/Q24X56T9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50035471
PNG
(2-(3,4-Dichloro-phenyl)-N-[(S)-1-(3-isothiocyanato...)
Show SMILES CN([C@H](CN1CCCC1)c1cccc(c1)N=C=S)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H23Cl2N3OS/c1-26(22(28)12-16-7-8-19(23)20(24)11-16)21(14-27-9-2-3-10-27)17-5-4-6-18(13-17)25-15-29/h4-8,11,13,21H,2-3,9-10,12,14H2,1H3/t21-/m1/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity of compound towards mu receptor by using radioligand [3H]-DAMG0 on guinea pig brain membranes

J Med Chem 37: 1547-9 (1994)


BindingDB Entry DOI: 10.7270/Q24X56T9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%