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PubMed code 1973734

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))
BDBM50007522
PNG
(5-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,3-dime...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1cc(Br)cc(OC)c1OC
Show InChI InChI=1S/C16H23BrN2O3/c1-4-19-7-5-6-12(19)10-18-16(20)13-8-11(17)9-14(21-2)15(13)22-3/h8-9,12H,4-7,10H2,1-3H3,(H,18,20)/t12-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
The affinity for the Dopamine receptor D2 was assessed by the inhibition of [3H]-spiperone binding in rat striatal membranes in vitro.


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


(Rattus norvegicus (rat))
BDBM50007517
PNG
((S)-3-bromo-N-((1-ethylpyrrolidin-2-yl)methyl)-2-h...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Br)cc(OC)c1OC
Show InChI InChI=1S/C16H23BrN2O4/c1-4-19-7-5-6-10(19)9-18-16(21)13-14(20)11(17)8-12(22-2)15(13)23-3/h8,10,20H,4-7,9H2,1-3H3,(H,18,21)/t10-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
The affinity for the Dopamine receptor D2 was assessed by the inhibition of [3H]-spiperone binding in rat striatal membranes in vitro.


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


(Rattus norvegicus (rat))
BDBM50010728
PNG
(CHEMBL75876 | N-(8-Benzyl-8-aza-bicyclo[3.2.1]oct-...)
Show SMILES COc1cccc(C(=O)NC2CC3CCC(C2)N3Cc2ccccc2)c1OC
Show InChI InChI=1S/C23H28N2O3/c1-27-21-10-6-9-20(22(21)28-2)23(26)24-17-13-18-11-12-19(14-17)25(18)15-16-7-4-3-5-8-16/h3-10,17-19H,11-15H2,1-2H3,(H,24,26)
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n/an/a 1.70n/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
The affinity for the Dopamine receptor D2 was assessed by the inhibition of [3H]-spiperone binding in rat striatal membranes in vitro.


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


(Rattus norvegicus (rat))
BDBM50010719
PNG
(3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,5-dihy...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Br)cc(O)c1OC
Show InChI InChI=1S/C15H21BrN2O4/c1-3-18-6-4-5-9(18)8-17-15(21)12-13(20)10(16)7-11(19)14(12)22-2/h7,9,19-20H,3-6,8H2,1-2H3,(H,17,21)/t9-/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
The affinity for the Dopamine receptor D2 was assessed by the inhibition of [3H]-spiperone binding in rat striatal membranes in vitro.


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


(Rattus norvegicus (rat))
BDBM50007514
PNG
(CHEMBL75842 | N-(1-Benzyl-piperidin-4-yl)-5-bromo-...)
Show SMILES COc1cc(Br)cc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1OC
Show InChI InChI=1S/C21H25BrN2O3/c1-26-19-13-16(22)12-18(20(19)27-2)21(25)23-17-8-10-24(11-9-17)14-15-6-4-3-5-7-15/h3-7,12-13,17H,8-11,14H2,1-2H3,(H,23,25)
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n/an/a 5n/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
The affinity for the Dopamine receptor D2 was assessed by the inhibition of [3H]-spiperone binding in rat striatal membranes in vitro.


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


(Rattus norvegicus (rat))
BDBM50010720
PNG
(5-Bromo-2,3-dihydro-benzofuran-7-carboxylic acid (...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1cc(Br)cc2CCOc12
Show InChI InChI=1S/C16H21BrN2O2/c1-2-19-6-3-4-13(19)10-18-16(20)14-9-12(17)8-11-5-7-21-15(11)14/h8-9,13H,2-7,10H2,1H3,(H,18,20)/t13-/m0/s1
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n/an/a 7.20n/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
The affinity for the Dopamine receptor D2 was assessed by the inhibition of [3H]-spiperone binding in rat striatal membranes in vitro.


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


(Rattus norvegicus (rat))
BDBM50010724
PNG
(CHEMBL305916 | N-(1-Ethyl-pyrrolidin-2-ylmethyl)-6...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)ccc(OC)c1OC
Show InChI InChI=1S/C16H24N2O4/c1-4-18-9-5-6-11(18)10-17-16(20)14-12(19)7-8-13(21-2)15(14)22-3/h7-8,11,19H,4-6,9-10H2,1-3H3,(H,17,20)/t11-/m0/s1
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n/an/a 8.80n/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
The affinity for the Dopamine receptor D2 was assessed by the inhibition of [3H]-spiperone binding in rat striatal membranes in vitro.


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


(Rattus norvegicus (rat))
BDBM50010727
PNG
(5-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-3-hydrox...)
Show SMILES CCN1CCCC1CNC(=O)c1cc(Br)cc(O)c1OC
Show InChI InChI=1S/C15H21BrN2O3/c1-3-18-6-4-5-11(18)9-17-15(20)12-7-10(16)8-13(19)14(12)21-2/h7-8,11,19H,3-6,9H2,1-2H3,(H,17,20)
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n/an/a 10n/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
The affinity for the Dopamine receptor D2 was assessed by the inhibition of [3H]-spiperone binding in rat striatal membranes in vitro.


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


(Rattus norvegicus (rat))
BDBM50007534
PNG
(3-Bromo-N-((S)-1-ethyl-pyrrolidin-2-ylmethyl)-2-hy...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Br)ccc1OC
Show InChI InChI=1S/C15H21BrN2O3/c1-3-18-8-4-5-10(18)9-17-15(20)13-12(21-2)7-6-11(16)14(13)19/h6-7,10,19H,3-5,8-9H2,1-2H3,(H,17,20)/t10-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
The affinity for the Dopamine receptor D2 was assessed by the inhibition of [3H]-spiperone binding in rat striatal membranes in vitro.


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


(Rattus norvegicus (rat))
BDBM50005118
PNG
((S)-3,5-Dichloro-N-(1-ethyl-pyrrolidin-2-ylmethyl)...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC
Show InChI InChI=1S/C15H20Cl2N2O3/c1-3-19-6-4-5-9(19)8-18-15(21)12-13(20)10(16)7-11(17)14(12)22-2/h7,9,20H,3-6,8H2,1-2H3,(H,18,21)/t9-/m0/s1
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n/an/a 32n/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
The affinity for the Dopamine receptor D2 was assessed by the inhibition of [3H]-spiperone binding in rat striatal membranes in vitro.


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


(Rattus norvegicus (rat))
BDBM50010723
PNG
(5-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,4-dime...)
Show SMILES CCN1CCCC1CNC(=O)c1cc(Br)c(OC)cc1OC
Show InChI InChI=1S/C16H23BrN2O3/c1-4-19-7-5-6-11(19)10-18-16(20)12-8-13(17)15(22-3)9-14(12)21-2/h8-9,11H,4-7,10H2,1-3H3,(H,18,20)
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n/an/a 44n/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
The affinity for the Dopamine receptor D2 was assessed by the inhibition of [3H]-spiperone binding in rat striatal membranes in vitro.


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


(Rattus norvegicus (rat))
BDBM50010721
PNG
(7-Bromo-2,3-dihydro-benzo[1,4]dioxine-5-carboxylic...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1cc(Br)cc2OCCOc12
Show InChI InChI=1S/C16H21BrN2O3/c1-2-19-5-3-4-12(19)10-18-16(20)13-8-11(17)9-14-15(13)22-7-6-21-14/h8-9,12H,2-7,10H2,1H3,(H,18,20)/t12-/m0/s1
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n/an/a 46n/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
The affinity for the Dopamine receptor D2 was assessed by the inhibition of [3H]-spiperone binding in rat striatal membranes in vitro.


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


(Rattus norvegicus (rat))
BDBM50010718
PNG
(5-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2-methox...)
Show SMILES CCN1CCCC1CNC(=O)c1cc(Br)ccc1OC
Show InChI InChI=1S/C15H21BrN2O2/c1-3-18-8-4-5-12(18)10-17-15(19)13-9-11(16)6-7-14(13)20-2/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,17,19)
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n/an/a 46n/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
The affinity for the Dopamine receptor D2 was assessed by the inhibition of [3H]-spiperone binding in rat striatal membranes in vitro.


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


(Rattus norvegicus (rat))
BDBM50010726
PNG
(CHEMBL75887 | N-(1-Ethyl-pyrrolidin-2-ylmethyl)-2,...)
Show SMILES CCN1CCCC1CNC(=O)c1cccc(OC)c1OC
Show InChI InChI=1S/C16H24N2O3/c1-4-18-10-6-7-12(18)11-17-16(19)13-8-5-9-14(20-2)15(13)21-3/h5,8-9,12H,4,6-7,10-11H2,1-3H3,(H,17,19)
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n/an/a 52n/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
The affinity for the Dopamine receptor D2 was assessed by the inhibition of [3H]-spiperone binding in rat striatal membranes in vitro.


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


(Rattus norvegicus (rat))
BDBM50452879
PNG
(CHEMBL2114141)
Show SMILES CCN1CCC[C@@H]1CNC(=O)c1cc(Br)cc(OC)c1OC
Show InChI InChI=1S/C16H23BrN2O3/c1-4-19-7-5-6-12(19)10-18-16(20)13-8-11(17)9-14(21-2)15(13)22-3/h8-9,12H,4-7,10H2,1-3H3,(H,18,20)/t12-/m1/s1
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n/an/a 145n/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
The affinity for the Dopamine receptor D2 was assessed by the inhibition of [3H]-spiperone binding in rat striatal membranes in vitro.


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


(Rattus norvegicus (rat))
BDBM50010725
PNG
(5-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2-hydrox...)
Show SMILES CCN1CCCC1CNC(=O)c1cc(Br)cc(OC)c1O
Show InChI InChI=1S/C15H21BrN2O3/c1-3-18-6-4-5-11(18)9-17-15(20)12-7-10(16)8-13(21-2)14(12)19/h7-8,11,19H,3-6,9H2,1-2H3,(H,17,20)
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n/an/a 8.21E+3n/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
The affinity for the Dopamine receptor D2 was assessed by the inhibition of [3H]-spiperone binding in rat striatal membranes in vitro.


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