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PubMed code 12023553

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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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Article
PubMed
1.61E+3n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill, Chapel Hill

Curated by PDSP Ki Database




J Pharmacol Exp Ther 301: 1179-89 (2002)


Article DOI: 10.1124/jpet.301.3.1179
BindingDB Entry DOI: 10.7270/Q2QF8RFK
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50010684
PNG
((6aR,12bS)-6-Propyl-5,6,6a,7,8,12b-hexahydro-benzo...)
Show SMILES CCCN1Cc2ccccc2[C@H]2[C@H]1CCc1cc(O)c(O)cc21
Show InChI InChI=1S/C20H23NO2/c1-2-9-21-12-14-5-3-4-6-15(14)20-16-11-19(23)18(22)10-13(16)7-8-17(20)21/h3-6,10-11,17,20,22-23H,2,7-9,12H2,1H3/t17-,20-/m1/s1
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Article
PubMed
2.11E+3n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill, Chapel Hill

Curated by PDSP Ki Database




J Pharmacol Exp Ther 301: 1179-89 (2002)


Article DOI: 10.1124/jpet.301.3.1179
BindingDB Entry DOI: 10.7270/Q2QF8RFK
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM84637
PNG
(CAS_85760-74-3 | CHEMBL240773 | NSC_54562 | QUINPI...)
Show SMILES CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12 |r|
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
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PubMed
2.16E+3n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill, Chapel Hill

Curated by PDSP Ki Database




J Pharmacol Exp Ther 301: 1179-89 (2002)


Article DOI: 10.1124/jpet.301.3.1179
BindingDB Entry DOI: 10.7270/Q2QF8RFK
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM81777
PNG
(CAS_132-66-1 | NPA | NPA,(+) | NPA,(-) | NSC_8594)
Show SMILES OC(=O)c1ccccc1C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C18H13NO3/c20-17(14-9-3-4-10-15(14)18(21)22)19-16-11-5-7-12-6-1-2-8-13(12)16/h1-11H,(H,19,20)(H,21,22)
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PubMed
2.39E+3n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill, Chapel Hill

Curated by PDSP Ki Database




J Pharmacol Exp Ther 301: 1179-89 (2002)


Article DOI: 10.1124/jpet.301.3.1179
BindingDB Entry DOI: 10.7270/Q2QF8RFK
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM81777
PNG
(CAS_132-66-1 | NPA | NPA,(+) | NPA,(-) | NSC_8594)
Show SMILES OC(=O)c1ccccc1C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C18H13NO3/c20-17(14-9-3-4-10-15(14)18(21)22)19-16-11-5-7-12-6-1-2-8-13(12)16/h1-11H,(H,19,20)(H,21,22)
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Article
PubMed
3.24E+3n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill, Chapel Hill

Curated by PDSP Ki Database




J Pharmacol Exp Ther 301: 1179-89 (2002)


Article DOI: 10.1124/jpet.301.3.1179
BindingDB Entry DOI: 10.7270/Q2QF8RFK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%