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PubMed code 7562944

Compile data set for download or QSAR
Found 16 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
Transporter


(Rattus norvegicus)
BDBM50031347
PNG
(2-Amino-5-(2-amino-propyl)-benzene-1,4-diol | CHEM...)
Show SMILES CC(N)Cc1cc(O)c(N)cc1O
Show InChI InChI=1S/C9H14N2O2/c1-5(10)2-6-3-9(13)7(11)4-8(6)12/h3-5,12-13H,2,10-11H2,1H3
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1n/an/an/an/an/an/an/an/a



University of Oklahoma

Curated by ChEMBL


Assay Description
Evaluated for the Non competitive inhibition of uptake of norepinephrine


J Med Chem 38: 4087-97 (1995)


BindingDB Entry DOI: 10.7270/Q2930S73
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50031347
PNG
(2-Amino-5-(2-amino-propyl)-benzene-1,4-diol | CHEM...)
Show SMILES CC(N)Cc1cc(O)c(N)cc1O
Show InChI InChI=1S/C9H14N2O2/c1-5(10)2-6-3-9(13)7(11)4-8(6)12/h3-5,12-13H,2,10-11H2,1H3
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3n/an/an/an/an/an/an/an/a



University of Oklahoma

Curated by ChEMBL


Assay Description
Evaluated for the Competitive inhibition of uptake of dopamine transporter


J Med Chem 38: 4087-97 (1995)


BindingDB Entry DOI: 10.7270/Q2930S73
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50031343
PNG
(2-Amino-5-(2-amino-ethyl)-benzene-1,4-diol | CHEMB...)
Show SMILES NCCc1cc(O)c(N)cc1O
Show InChI InChI=1S/C8H12N2O2/c9-2-1-5-3-8(12)6(10)4-7(5)11/h3-4,11-12H,1-2,9-10H2
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5n/an/an/an/an/an/an/an/a



University of Oklahoma

Curated by ChEMBL


Assay Description
Evaluated for the Competitive inhibition of uptake of norepinephrine


J Med Chem 38: 4087-97 (1995)


BindingDB Entry DOI: 10.7270/Q2930S73
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50031341
PNG
(4-Amino-5-(2-amino-propyl)-benzene-1,2-diol | CHEM...)
Show SMILES CC(N)Cc1cc(O)c(O)cc1N
Show InChI InChI=1S/C9H14N2O2/c1-5(10)2-6-3-8(12)9(13)4-7(6)11/h3-5,12-13H,2,10-11H2,1H3
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8n/an/an/an/an/an/an/an/a



University of Oklahoma

Curated by ChEMBL


Assay Description
Evaluated for the Competitive inhibition of uptake of norepinephrine


J Med Chem 38: 4087-97 (1995)


BindingDB Entry DOI: 10.7270/Q2930S73
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50031343
PNG
(2-Amino-5-(2-amino-ethyl)-benzene-1,4-diol | CHEMB...)
Show SMILES NCCc1cc(O)c(N)cc1O
Show InChI InChI=1S/C8H12N2O2/c9-2-1-5-3-8(12)6(10)4-7(5)11/h3-4,11-12H,1-2,9-10H2
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9n/an/an/an/an/an/an/an/a



University of Oklahoma

Curated by ChEMBL


Assay Description
Evaluated for the Competitive inhibition of uptake of dopamine transporter


J Med Chem 38: 4087-97 (1995)


BindingDB Entry DOI: 10.7270/Q2930S73
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50031341
PNG
(4-Amino-5-(2-amino-propyl)-benzene-1,2-diol | CHEM...)
Show SMILES CC(N)Cc1cc(O)c(O)cc1N
Show InChI InChI=1S/C9H14N2O2/c1-5(10)2-6-3-8(12)9(13)4-7(6)11/h3-5,12-13H,2,10-11H2,1H3
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9n/an/an/an/an/an/an/an/a



University of Oklahoma

Curated by ChEMBL


Assay Description
Evaluated for the Competitive inhibition of uptake of dopamine transporter


J Med Chem 38: 4087-97 (1995)


BindingDB Entry DOI: 10.7270/Q2930S73
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50031344
PNG
(4-Amino-5-(2-amino-ethyl)-benzene-1,2-diol | CHEMB...)
Show SMILES NCCc1cc(O)c(O)cc1N
Show InChI InChI=1S/C8H12N2O2/c9-2-1-5-3-7(11)8(12)4-6(5)10/h3-4,11-12H,1-2,9-10H2
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11n/an/an/an/an/an/an/an/a



University of Oklahoma

Curated by ChEMBL


Assay Description
Evaluated for the Competitive inhibition of uptake of norepinephrine


J Med Chem 38: 4087-97 (1995)


BindingDB Entry DOI: 10.7270/Q2930S73
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM81264
PNG
(5-(2-aminoethyl)benzene-1,2,4-triol;hydrobromide |...)
Show SMILES NCCc1cc(O)c(O)cc1O
Show InChI InChI=1S/C8H11NO3/c9-2-1-5-3-7(11)8(12)4-6(5)10/h3-4,10-12H,1-2,9H2
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12n/an/an/an/an/an/an/an/a



University of Oklahoma

Curated by ChEMBL


Assay Description
Evaluated for the Competitive inhibition of uptake of dopamine transporter


J Med Chem 38: 4087-97 (1995)


BindingDB Entry DOI: 10.7270/Q2930S73
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50031346
PNG
(4-Amino-6-(2-amino-ethyl)-benzene-1,3-diol | CHEMB...)
Show SMILES NCCc1cc(N)c(O)cc1O
Show InChI InChI=1S/C8H12N2O2/c9-2-1-5-3-6(10)8(12)4-7(5)11/h3-4,11-12H,1-2,9-10H2
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13n/an/an/an/an/an/an/an/a



University of Oklahoma

Curated by ChEMBL


Assay Description
Evaluated for the Competitive inhibition of uptake of norepinephrine


J Med Chem 38: 4087-97 (1995)


BindingDB Entry DOI: 10.7270/Q2930S73
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50031342
PNG
(5-(2-Amino-propyl)-benzene-1,2,4-triol | 5-(2-Amin...)
Show SMILES CC(N)Cc1cc(O)c(O)cc1O
Show InChI InChI=1S/C9H13NO3/c1-5(10)2-6-3-8(12)9(13)4-7(6)11/h3-5,11-13H,2,10H2,1H3
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16n/an/an/an/an/an/an/an/a



University of Oklahoma

Curated by ChEMBL


Assay Description
Evaluated for the Competitive inhibition of uptake of dopamine transporter


J Med Chem 38: 4087-97 (1995)


BindingDB Entry DOI: 10.7270/Q2930S73
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50031344
PNG
(4-Amino-5-(2-amino-ethyl)-benzene-1,2-diol | CHEMB...)
Show SMILES NCCc1cc(O)c(O)cc1N
Show InChI InChI=1S/C8H12N2O2/c9-2-1-5-3-7(11)8(12)4-6(5)10/h3-4,11-12H,1-2,9-10H2
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17n/an/an/an/an/an/an/an/a



University of Oklahoma

Curated by ChEMBL


Assay Description
Evaluated for the Competitive inhibition of uptake of dopamine transporter


J Med Chem 38: 4087-97 (1995)


BindingDB Entry DOI: 10.7270/Q2930S73
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50031342
PNG
(5-(2-Amino-propyl)-benzene-1,2,4-triol | 5-(2-Amin...)
Show SMILES CC(N)Cc1cc(O)c(O)cc1O
Show InChI InChI=1S/C9H13NO3/c1-5(10)2-6-3-8(12)9(13)4-7(6)11/h3-5,11-13H,2,10H2,1H3
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26n/an/an/an/an/an/an/an/a



University of Oklahoma

Curated by ChEMBL


Assay Description
Evaluated for the Competitive inhibition of uptake of norepinephrine


J Med Chem 38: 4087-97 (1995)


BindingDB Entry DOI: 10.7270/Q2930S73
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50031348
PNG
(4-Amino-6-(2-amino-propyl)-benzene-1,3-diol | CHEM...)
Show SMILES CC(N)Cc1cc(N)c(O)cc1O
Show InChI InChI=1S/C9H14N2O2/c1-5(10)2-6-3-7(11)9(13)4-8(6)12/h3-5,12-13H,2,10-11H2,1H3
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46n/an/an/an/an/an/an/an/a



University of Oklahoma

Curated by ChEMBL


Assay Description
Evaluated for the Competitive inhibition of uptake of norepinephrine


J Med Chem 38: 4087-97 (1995)


BindingDB Entry DOI: 10.7270/Q2930S73
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50031346
PNG
(4-Amino-6-(2-amino-ethyl)-benzene-1,3-diol | CHEMB...)
Show SMILES NCCc1cc(N)c(O)cc1O
Show InChI InChI=1S/C8H12N2O2/c9-2-1-5-3-6(10)8(12)4-7(5)11/h3-4,11-12H,1-2,9-10H2
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47n/an/an/an/an/an/an/an/a



University of Oklahoma

Curated by ChEMBL


Assay Description
Evaluated for the Competitive inhibition of uptake of dopamine transporter


J Med Chem 38: 4087-97 (1995)


BindingDB Entry DOI: 10.7270/Q2930S73
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM81264
PNG
(5-(2-aminoethyl)benzene-1,2,4-triol;hydrobromide |...)
Show SMILES NCCc1cc(O)c(O)cc1O
Show InChI InChI=1S/C8H11NO3/c9-2-1-5-3-7(11)8(12)4-6(5)10/h3-4,10-12H,1-2,9H2
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51n/an/an/an/an/an/an/an/a



University of Oklahoma

Curated by ChEMBL


Assay Description
Evaluated for the Competitive inhibition of uptake of norepinephrine


J Med Chem 38: 4087-97 (1995)


BindingDB Entry DOI: 10.7270/Q2930S73
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50031348
PNG
(4-Amino-6-(2-amino-propyl)-benzene-1,3-diol | CHEM...)
Show SMILES CC(N)Cc1cc(N)c(O)cc1O
Show InChI InChI=1S/C9H14N2O2/c1-5(10)2-6-3-7(11)9(13)4-8(6)12/h3-5,12-13H,2,10-11H2,1H3
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112n/an/an/an/an/an/an/an/a



University of Oklahoma

Curated by ChEMBL


Assay Description
Evaluated for the Competitive inhibition of uptake of dopamine transporter


J Med Chem 38: 4087-97 (1995)


BindingDB Entry DOI: 10.7270/Q2930S73
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%