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PubMed code 1975274

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))
BDBM50001955
PNG
((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31
Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1
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n/an/a 70n/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of [3H]spiperone binding to Dopamine receptor D2 of rat striatal membranes


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


(Rattus norvegicus (rat))
BDBM50010733
PNG
(5-[2-(Ethyl-phenethyl-amino)-ethyl]-2-fluoro-pheno...)
Show SMILES CCN(CCc1ccccc1)CCc1ccc(F)c(O)c1
Show InChI InChI=1S/C18H22FNO/c1-2-20(12-10-15-6-4-3-5-7-15)13-11-16-8-9-17(19)18(21)14-16/h3-9,14,21H,2,10-13H2,1H3
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n/an/a 230n/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of [3H]spiperone binding to dopamine receptor D2 of rat striatal membranes


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


(Rattus norvegicus (rat))
BDBM50010731
PNG
(2-Fluoro-5-[2-(phenethyl-propyl-amino)-ethyl]-phen...)
Show SMILES CCCN(CCc1ccccc1)CCc1ccc(F)c(O)c1
Show InChI InChI=1S/C19H24FNO/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 250n/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of [3H]spiperone binding to dopamine receptor D2 of rat striatal membranes


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


(Rattus norvegicus (rat))
BDBM50010729
PNG
(2-Fluoro-4-[2-(phenethyl-propyl-amino)-ethyl]-phen...)
Show SMILES CCCN(CCc1ccccc1)CCc1ccc(O)c(F)c1
Show InChI InChI=1S/C19H24FNO/c1-2-12-21(13-10-16-6-4-3-5-7-16)14-11-17-8-9-19(22)18(20)15-17/h3-9,15,22H,2,10-14H2,1H3
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n/an/a 580n/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of [3H]spiperone binding to dopamine receptor D2 of rat striatal membranes


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


(Rattus norvegicus (rat))
BDBM50010732
PNG
(5-(2-Dipropylamino-ethyl)-2-fluoro-phenol; hydrobr...)
Show SMILES CCCN(CCC)CCc1ccc(F)c(O)c1
Show InChI InChI=1S/C14H22FNO/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 950n/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of [3H]spiperone binding to dopamine receptor D2 of rat striatal membranes


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


(Rattus norvegicus (rat))
BDBM50010734
PNG
(5-[2-(Ethyl-propyl-amino)-ethyl]-2-fluoro-phenol; ...)
Show SMILES CCCN(CC)CCc1ccc(F)c(O)c1
Show InChI InChI=1S/C13H20FNO/c1-3-8-15(4-2)9-7-11-5-6-12(14)13(16)10-11/h5-6,10,16H,3-4,7-9H2,1-2H3
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n/an/a 1.97E+3n/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of [3H]spiperone binding to dopamine receptor D2 of rat striatal membranes


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 2.20E+3n/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of [3H]spiperone binding to Dopamine receptor D2 of rat striatal membranes


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 3.00E+3n/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1 of rat striatal membranes


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


(RAT)
BDBM50001955
PNG
((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31
Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1 of rat striatal membranes


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


(Rattus norvegicus (rat))
BDBM50010730
PNG
(5-(2-Amino-ethyl)-2-fluoro-phenol; hydrobromide | ...)
Show SMILES NCCc1ccc(F)c(O)c1
Show InChI InChI=1S/C8H10FNO/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 4.64E+3n/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of [3H]spiperone binding to Dopamine receptor D2 of rat striatal membranes


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


(RAT)
BDBM50010730
PNG
(5-(2-Amino-ethyl)-2-fluoro-phenol; hydrobromide | ...)
Show SMILES NCCc1ccc(F)c(O)c1
Show InChI InChI=1S/C8H10FNO/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 6.15E+3n/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1 of rat striatal membranes


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


(RAT)
BDBM50010733
PNG
(5-[2-(Ethyl-phenethyl-amino)-ethyl]-2-fluoro-pheno...)
Show SMILES CCN(CCc1ccccc1)CCc1ccc(F)c(O)c1
Show InChI InChI=1S/C18H22FNO/c1-2-20(12-10-15-6-4-3-5-7-15)13-11-16-8-9-17(19)18(21)14-16/h3-9,14,21H,2,10-13H2,1H3
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n/an/a 8.00E+3n/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1 of rat striatal membranes


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


(RAT)
BDBM50010731
PNG
(2-Fluoro-5-[2-(phenethyl-propyl-amino)-ethyl]-phen...)
Show SMILES CCCN(CCc1ccccc1)CCc1ccc(F)c(O)c1
Show InChI InChI=1S/C19H24FNO/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 1.09E+4n/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1 of rat striatal membranes


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


(RAT)
BDBM50010734
PNG
(5-[2-(Ethyl-propyl-amino)-ethyl]-2-fluoro-phenol; ...)
Show SMILES CCCN(CC)CCc1ccc(F)c(O)c1
Show InChI InChI=1S/C13H20FNO/c1-3-8-15(4-2)9-7-11-5-6-12(14)13(16)10-11/h5-6,10,16H,3-4,7-9H2,1-2H3
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n/an/a 1.11E+4n/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1 of rat striatal membranes


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


(RAT)
BDBM50010732
PNG
(5-(2-Dipropylamino-ethyl)-2-fluoro-phenol; hydrobr...)
Show SMILES CCCN(CCC)CCc1ccc(F)c(O)c1
Show InChI InChI=1S/C14H22FNO/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 1.14E+4n/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1 of rat striatal membranes


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


(RAT)
BDBM50010729
PNG
(2-Fluoro-4-[2-(phenethyl-propyl-amino)-ethyl]-phen...)
Show SMILES CCCN(CCc1ccccc1)CCc1ccc(O)c(F)c1
Show InChI InChI=1S/C19H24FNO/c1-2-12-21(13-10-16-6-4-3-5-7-16)14-11-17-8-9-19(22)18(20)15-17/h3-9,15,22H,2,10-14H2,1H3
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n/an/a 3.80E+4n/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1 of rat striatal membranes


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