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Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50006186   
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))
BDBM50002015
PNG
(5-Chloro-1-(4-fluoro-phenyl)-3-(1-methyl-1,2,3,6-t...)
Show SMILES CN1CCC(=CC1)c1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12 |c:4|
Show InChI InChI=1S/C20H18ClFN2/c1-23-10-8-14(9-11-23)19-13-24(17-5-3-16(22)4-6-17)20-7-2-15(21)12-18(19)20/h2-8,12-13H,9-11H2,1H3
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n/an/a 1.10n/an/an/an/an/an/a



University of Lund

Curated by ChEMBL


Assay Description
Binding affinity towardst dopamine D2 receptor by displacement of [3H]-SPI radioligand in rat striatal membranes


J Med Chem 36: 2878-85 (1993)


BindingDB Entry DOI: 10.7270/Q2GQ6WVF
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007568
PNG
(1-((S)-8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-...)
Show SMILES CN1CCN(CC1)[C@H]1Cc2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3/t17-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



University of Lund

Curated by ChEMBL


Assay Description
Binding affinity towardst dopamine D2 receptor by displacement of [3H]-SPI radioligand in rat striatal membranes


J Med Chem 36: 2878-85 (1993)


BindingDB Entry DOI: 10.7270/Q2GQ6WVF
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50007568
PNG
(1-((S)-8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-...)
Show SMILES CN1CCN(CC1)[C@H]1Cc2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3/t17-/m0/s1
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n/an/a 2.20n/an/an/an/an/an/a



University of Lund

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D1 by displacement of [3H]-SCH- radioligand in rat striatal membranes


J Med Chem 36: 2878-85 (1993)


BindingDB Entry DOI: 10.7270/Q2GQ6WVF
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50045823
PNG
(4-[6-Chloro-3-(4-fluoro-phenyl)-3H-inden-1-yl]-1-m...)
Show SMILES CN1CCC(=CC1)C1=CC(c2ccc(Cl)cc12)c1ccc(F)cc1 |c:4,t:8|
Show InChI InChI=1S/C21H19ClFN/c1-24-10-8-15(9-11-24)20-13-19(14-2-5-17(23)6-3-14)18-7-4-16(22)12-21(18)20/h2-8,12-13,19H,9-11H2,1H3
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n/an/a 5.10n/an/an/an/an/an/a



University of Lund

Curated by ChEMBL


Assay Description
Binding affinity towardst dopamine D2 receptor by displacement of [3H]-SPI radioligand in rat striatal membranes


J Med Chem 36: 2878-85 (1993)


BindingDB Entry DOI: 10.7270/Q2GQ6WVF
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50029413
PNG
(1-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-4-meth...)
Show SMILES CN1CCN(CC1)C1CC(c2ccc(Cl)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C20H22ClFN2/c1-23-8-10-24(11-9-23)20-13-18(14-2-5-16(22)6-3-14)17-7-4-15(21)12-19(17)20/h2-7,12,18,20H,8-11,13H2,1H3
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n/an/a 9.5n/an/an/an/an/an/a



University of Lund

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D1 by displacement of [3H]-SCH- radioligand in rat striatal membranes


J Med Chem 36: 2878-85 (1993)


BindingDB Entry DOI: 10.7270/Q2GQ6WVF
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50002015
PNG
(5-Chloro-1-(4-fluoro-phenyl)-3-(1-methyl-1,2,3,6-t...)
Show SMILES CN1CCC(=CC1)c1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12 |c:4|
Show InChI InChI=1S/C20H18ClFN2/c1-23-10-8-14(9-11-23)19-13-24(17-5-3-16(22)4-6-17)20-7-2-15(21)12-18(19)20/h2-8,12-13H,9-11H2,1H3
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n/an/a 9.80n/an/an/an/an/an/a



University of Lund

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D1 by displacement of [3H]-SCH- radioligand in rat striatal membranes


J Med Chem 36: 2878-85 (1993)


BindingDB Entry DOI: 10.7270/Q2GQ6WVF
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50029413
PNG
(1-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-4-meth...)
Show SMILES CN1CCN(CC1)C1CC(c2ccc(Cl)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C20H22ClFN2/c1-23-8-10-24(11-9-23)20-13-18(14-2-5-16(22)6-3-14)17-7-4-15(21)12-19(17)20/h2-7,12,18,20H,8-11,13H2,1H3
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n/an/a 12n/an/an/an/an/an/a



University of Lund

Curated by ChEMBL


Assay Description
Binding affinity towardst dopamine D2 receptor by displacement of [3H]-SPI radioligand in rat striatal membranes


J Med Chem 36: 2878-85 (1993)


BindingDB Entry DOI: 10.7270/Q2GQ6WVF
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50045822
PNG
(4-[6-Chloro-3-(4-fluoro-phenyl)-3H-inden-1-yl]-1-m...)
Show SMILES CN1CCC(CC1)C1=CC(c2ccc(Cl)cc12)c1ccc(F)cc1 |t:8|
Show InChI InChI=1S/C21H21ClFN/c1-24-10-8-15(9-11-24)20-13-19(14-2-5-17(23)6-3-14)18-7-4-16(22)12-21(18)20/h2-7,12-13,15,19H,8-11H2,1H3
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n/an/a 12n/an/an/an/an/an/a



University of Lund

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D1 by displacement of [3H]-SCH- radioligand in rat striatal membranes


J Med Chem 36: 2878-85 (1993)


BindingDB Entry DOI: 10.7270/Q2GQ6WVF
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50019966
PNG
(2-{4-[(1R,3S)-3-(4-Fluoro-phenyl)-6-trifluoromethy...)
Show SMILES OCCN1CCN(CC1)[C@@H]1C[C@H](c2ccc(cc12)C(F)(F)F)c1ccc(F)cc1
Show InChI InChI=1S/C22H24F4N2O/c23-17-4-1-15(2-5-17)19-14-21(28-9-7-27(8-10-28)11-12-29)20-13-16(22(24,25)26)3-6-18(19)20/h1-6,13,19,21,29H,7-12,14H2/t19-,21+/m0/s1
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n/an/a 14n/an/an/an/an/an/a



University of Lund

Curated by ChEMBL


Assay Description
Binding affinity towardst dopamine D2 receptor by displacement of [3H]-SPI radioligand in rat striatal membranes


J Med Chem 36: 2878-85 (1993)


BindingDB Entry DOI: 10.7270/Q2GQ6WVF
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50045822
PNG
(4-[6-Chloro-3-(4-fluoro-phenyl)-3H-inden-1-yl]-1-m...)
Show SMILES CN1CCC(CC1)C1=CC(c2ccc(Cl)cc12)c1ccc(F)cc1 |t:8|
Show InChI InChI=1S/C21H21ClFN/c1-24-10-8-15(9-11-24)20-13-19(14-2-5-17(23)6-3-14)18-7-4-16(22)12-21(18)20/h2-7,12-13,15,19H,8-11H2,1H3
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n/an/a 19n/an/an/an/an/an/a



University of Lund

Curated by ChEMBL


Assay Description
Binding affinity towardst dopamine D2 receptor by displacement of [3H]-SPI radioligand in rat striatal membranes


J Med Chem 36: 2878-85 (1993)


BindingDB Entry DOI: 10.7270/Q2GQ6WVF
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50019966
PNG
(2-{4-[(1R,3S)-3-(4-Fluoro-phenyl)-6-trifluoromethy...)
Show SMILES OCCN1CCN(CC1)[C@@H]1C[C@H](c2ccc(cc12)C(F)(F)F)c1ccc(F)cc1
Show InChI InChI=1S/C22H24F4N2O/c23-17-4-1-15(2-5-17)19-14-21(28-9-7-27(8-10-28)11-12-29)20-13-16(22(24,25)26)3-6-18(19)20/h1-6,13,19,21,29H,7-12,14H2/t19-,21+/m0/s1
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n/an/a 19n/an/an/an/an/an/a



University of Lund

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D1 by displacement of [3H]-SCH- radioligand in rat striatal membranes


J Med Chem 36: 2878-85 (1993)


BindingDB Entry DOI: 10.7270/Q2GQ6WVF
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50045823
PNG
(4-[6-Chloro-3-(4-fluoro-phenyl)-3H-inden-1-yl]-1-m...)
Show SMILES CN1CCC(=CC1)C1=CC(c2ccc(Cl)cc12)c1ccc(F)cc1 |c:4,t:8|
Show InChI InChI=1S/C21H19ClFN/c1-24-10-8-15(9-11-24)20-13-19(14-2-5-17(23)6-3-14)18-7-4-16(22)12-21(18)20/h2-8,12-13,19H,9-11H2,1H3
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n/an/a 23n/an/an/an/an/an/a



University of Lund

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D1 by displacement of [3H]-SCH- radioligand in rat striatal membranes


J Med Chem 36: 2878-85 (1993)


BindingDB Entry DOI: 10.7270/Q2GQ6WVF
More data for this
Ligand-Target Pair