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PubMed code 1360027

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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50002313
PNG
(2-Chloro-5-(2-{[2-(3-hydroxy-phenyl)-ethyl]-propyl...)
Show SMILES CCCN(CCc1cccc(O)c1)CCc1ccc(Cl)c(O)c1
Show InChI InChI=1S/C19H24ClNO2/c1-2-10-21(11-8-15-4-3-5-17(22)13-15)12-9-16-6-7-18(20)19(23)14-16/h3-7,13-14,22-23H,2,8-12H2,1H3
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n/an/a 730n/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Inhibitory activity against [3H]spiperone in Rat Striatal membrane


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50002310
PNG
(3-[2-(Phenethyl-propyl-amino)-ethyl]-phenol; hydro...)
Show SMILES CCCN(CCc1ccccc1)CCc1cccc(O)c1
Show InChI InChI=1S/C19H25NO/c1-2-13-20(14-11-17-7-4-3-5-8-17)15-12-18-9-6-10-19(21)16-18/h3-10,16,21H,2,11-15H2,1H3
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n/an/a 750n/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Inhibitory activity against [3H]spiperone in Rat Striatal membrane


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50002314
PNG
(2-Chloro-5-(2-{[3-(4-hydroxy-phenyl)-propyl]-propy...)
Show SMILES CCCN(CCCc1ccc(O)cc1)CCc1ccc(Cl)c(O)c1
Show InChI InChI=1S/C20H26ClNO2/c1-2-12-22(13-3-4-16-5-8-18(23)9-6-16)14-11-17-7-10-19(21)20(24)15-17/h5-10,15,23-24H,2-4,11-14H2,1H3
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n/an/a 850n/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Inhibitory activity against [3H]spiperone in Rat Striatal membrane


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50002309
PNG
(2-Chloro-5-(2-{[2-(4-hydroxy-phenyl)-ethyl]-propyl...)
Show SMILES CCCN(CCc1ccc(O)cc1)CCc1ccc(Cl)c(O)c1
Show InChI InChI=1S/C19H24ClNO2/c1-2-11-21(12-9-15-3-6-17(22)7-4-15)13-10-16-5-8-18(20)19(23)14-16/h3-8,14,22-23H,2,9-13H2,1H3
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n/an/a 900n/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Inhibitory activity against [3H]spiperone in Rat Striatal membrane


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50002311
PNG
(2-Chloro-5-[2-(phenethyl-propyl-amino)-ethyl]-phen...)
Show SMILES CCCN(CCc1ccccc1)CCc1ccc(Cl)c(O)c1
Show InChI InChI=1S/C19H24ClNO/c1-2-12-21(13-10-16-6-4-3-5-7-16)14-11-17-8-9-18(20)19(22)15-17/h3-9,15,22H,2,10-14H2,1H3
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n/an/a 1.39E+3n/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Inhibitory activity against [3H]spiperone in Rat Striatal membrane


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
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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n/an/a 3.50E+3n/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Inhibitory activity against [3H]spiperone in Rat Striatal membrane


Citation and Details
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
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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n/an/a 3.70E+3n/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Inhibitory activity against [3H]-SCH- 23390 in Rat Striatal membrane


Citation and Details
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50002313
PNG
(2-Chloro-5-(2-{[2-(3-hydroxy-phenyl)-ethyl]-propyl...)
Show SMILES CCCN(CCc1cccc(O)c1)CCc1ccc(Cl)c(O)c1
Show InChI InChI=1S/C19H24ClNO2/c1-2-10-21(11-8-15-4-3-5-17(22)13-15)12-9-16-6-7-18(20)19(23)14-16/h3-7,13-14,22-23H,2,8-12H2,1H3
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n/an/a 1.12E+4n/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Inhibitory activity against [3H]-SCH- 23390 in Rat Striatal membrane


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50002312
PNG
(2-Chloro-5-(2-dipropylamino-ethyl)-phenol; hydrobr...)
Show SMILES CCCN(CCC)CCc1ccc(Cl)c(O)c1
Show InChI InChI=1S/C14H22ClNO/c1-3-8-16(9-4-2)10-7-12-5-6-13(15)14(17)11-12/h5-6,11,17H,3-4,7-10H2,1-2H3
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n/an/a 1.29E+4n/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Inhibitory activity against [3H]spiperone in Rat Striatal membrane


Citation and Details
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50002314
PNG
(2-Chloro-5-(2-{[3-(4-hydroxy-phenyl)-propyl]-propy...)
Show SMILES CCCN(CCCc1ccc(O)cc1)CCc1ccc(Cl)c(O)c1
Show InChI InChI=1S/C20H26ClNO2/c1-2-12-22(13-3-4-16-5-8-18(23)9-6-16)14-11-17-7-10-19(21)20(24)15-17/h5-10,15,23-24H,2-4,11-14H2,1H3
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n/an/a 1.69E+4n/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Inhibitory activity against [3H]-SCH- 23390 in Rat Striatal membrane


Citation and Details
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50002309
PNG
(2-Chloro-5-(2-{[2-(4-hydroxy-phenyl)-ethyl]-propyl...)
Show SMILES CCCN(CCc1ccc(O)cc1)CCc1ccc(Cl)c(O)c1
Show InChI InChI=1S/C19H24ClNO2/c1-2-11-21(12-9-15-3-6-17(22)7-4-15)13-10-16-5-8-18(20)19(23)14-16/h3-8,14,22-23H,2,9-13H2,1H3
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n/an/a 1.81E+4n/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Inhibitory activity against [3H]-SCH- 23390 in Rat Striatal membrane


Citation and Details
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50002311
PNG
(2-Chloro-5-[2-(phenethyl-propyl-amino)-ethyl]-phen...)
Show SMILES CCCN(CCc1ccccc1)CCc1ccc(Cl)c(O)c1
Show InChI InChI=1S/C19H24ClNO/c1-2-12-21(13-10-16-6-4-3-5-7-16)14-11-17-8-9-18(20)19(22)15-17/h3-9,15,22H,2,10-14H2,1H3
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n/an/a 2.44E+4n/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Inhibitory activity against [3H]-SCH- 23390 in Rat Striatal membrane


Citation and Details
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50002315
PNG
(5-(2-Amino-ethyl)-2-chloro-phenol; hydrobromide | ...)
Show SMILES NCCc1ccc(Cl)c(O)c1
Show InChI InChI=1S/C8H10ClNO/c9-7-2-1-6(3-4-10)5-8(7)11/h1-2,5,11H,3-4,10H2
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n/an/a 2.53E+4n/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Inhibitory activity against [3H]-SCH- 23390 in Rat Striatal membrane


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50002315
PNG
(5-(2-Amino-ethyl)-2-chloro-phenol; hydrobromide | ...)
Show SMILES NCCc1ccc(Cl)c(O)c1
Show InChI InChI=1S/C8H10ClNO/c9-7-2-1-6(3-4-10)5-8(7)11/h1-2,5,11H,3-4,10H2
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n/an/a 2.63E+4n/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Inhibitory activity against [3H]spiperone in Rat Striatal membrane


Citation and Details
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50002312
PNG
(2-Chloro-5-(2-dipropylamino-ethyl)-phenol; hydrobr...)
Show SMILES CCCN(CCC)CCc1ccc(Cl)c(O)c1
Show InChI InChI=1S/C14H22ClNO/c1-3-8-16(9-4-2)10-7-12-5-6-13(15)14(17)11-12/h5-6,11,17H,3-4,7-10H2,1-2H3
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n/an/a 5.07E+4n/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Inhibitory activity against [3H]-SCH- 23390 in Rat Striatal membrane


Citation and Details
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50002310
PNG
(3-[2-(Phenethyl-propyl-amino)-ethyl]-phenol; hydro...)
Show SMILES CCCN(CCc1ccccc1)CCc1cccc(O)c1
Show InChI InChI=1S/C19H25NO/c1-2-13-20(14-11-17-7-4-3-5-8-17)15-12-18-9-6-10-19(21)16-18/h3-10,16,21H,2,11-15H2,1H3
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n/an/a 9.28E+4n/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Inhibitory activity against [3H]-SCH- 23390 in Rat Striatal membrane


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%