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PubMed code 8035432

Compile data set for download or QSAR
Found 5 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
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50084717
PNG
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C
Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1
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Article
PubMed
n/an/a 70n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Tested for inhibition of [3H]cocaine binding to rat striatal P2 membranes


J Med Chem 37: 2249-52 (1994)


Article DOI: 10.1021/jm00040a019
BindingDB Entry DOI: 10.7270/Q2K93864
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50039172
PNG
((R)-3-(4-Isothiocyanato-phenylcarbamoyloxy)-8-meth...)
Show SMILES COC(=O)C1C2CC[C@H](CC1OC(=O)Nc1ccc(cc1)N=C=S)N2C
Show InChI InChI=1S/C18H21N3O4S/c1-21-13-7-8-14(21)16(17(22)24-2)15(9-13)25-18(23)20-12-5-3-11(4-6-12)19-10-26/h3-6,13-16H,7-9H2,1-2H3,(H,20,23)/t13-,14?,15?,16?/m1/s1
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Article
PubMed
n/an/a 260n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Tested for inhibition of [3H]cocaine binding to rat striatal P2 membranes


J Med Chem 37: 2249-52 (1994)


Article DOI: 10.1021/jm00040a019
BindingDB Entry DOI: 10.7270/Q2K93864
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50039170
PNG
((R)-3-(3-Azido-phenylcarbamoyloxy)-8-methyl-8-aza-...)
Show SMILES COC(=O)C1C2CC[C@H](CC1OC(=O)Nc1cccc(c1)N=[N+]=[N-])N2C
Show InChI InChI=1S/C17H21N5O4/c1-22-12-6-7-13(22)15(16(23)25-2)14(9-12)26-17(24)19-10-4-3-5-11(8-10)20-21-18/h3-5,8,12-15H,6-7,9H2,1-2H3,(H,19,24)/t12-,13?,14?,15?/m1/s1
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PubMed
n/an/a 630n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Tested for inhibition of [3H]cocaine binding to rat striatal P2 membranes


J Med Chem 37: 2249-52 (1994)


Article DOI: 10.1021/jm00040a019
BindingDB Entry DOI: 10.7270/Q2K93864
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50039171
PNG
((R)-3-(3-Isothiocyanato-phenylcarbamoyloxy)-8-meth...)
Show SMILES COC(=O)C1C2CC[C@H](CC1OC(=O)Nc1cccc(c1)N=C=S)N2C
Show InChI InChI=1S/C18H21N3O4S/c1-21-13-6-7-14(21)16(17(22)24-2)15(9-13)25-18(23)20-12-5-3-4-11(8-12)19-10-26/h3-5,8,13-16H,6-7,9H2,1-2H3,(H,20,23)/t13-,14?,15?,16?/m1/s1
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PubMed
n/an/a 960n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Tested for inhibition of [3H]cocaine binding to rat striatal P2 membranes


J Med Chem 37: 2249-52 (1994)


Article DOI: 10.1021/jm00040a019
BindingDB Entry DOI: 10.7270/Q2K93864
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50039173
PNG
((R)-3-(4-Azido-phenylcarbamoyloxy)-8-methyl-8-aza-...)
Show SMILES COC(=O)C1C2CC[C@H](CC1OC(=O)Nc1ccc(cc1)N=[N+]=[N-])N2C
Show InChI InChI=1S/C17H21N5O4/c1-22-12-7-8-13(22)15(16(23)25-2)14(9-12)26-17(24)19-10-3-5-11(6-4-10)20-21-18/h3-6,12-15H,7-9H2,1-2H3,(H,19,24)/t12-,13?,14?,15?/m1/s1
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PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Tested for inhibition of [3H]cocaine binding to rat striatal P2 membranes


J Med Chem 37: 2249-52 (1994)


Article DOI: 10.1021/jm00040a019
BindingDB Entry DOI: 10.7270/Q2K93864
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%