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BDBM50020240 1-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-4-methyl-piperazine::CHEMBL1204285::CHEMBL307717

SMILES: CN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1

InChI Key: InChIKey=BOFPIRRSGDHUCZ-UHFFFAOYSA-N

Data: 23 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 50020240   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50020240
PNG
(1-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-4-meth...)
Show SMILES CN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C20H22F2N2/c1-23-8-10-24(11-9-23)20-13-18(14-2-4-15(21)5-3-14)17-7-6-16(22)12-19(17)20/h2-7,12,18,20H,8-11,13H2,1H3
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n/an/a 110n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effect on synaptosomal uptake inhibition of Dopamine transporter


J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50020240
PNG
(1-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-4-meth...)
Show SMILES CN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C20H22F2N2/c1-23-8-10-24(11-9-23)20-13-18(14-2-4-15(21)5-3-14)17-7-6-16(22)12-19(17)20/h2-7,12,18,20H,8-11,13H2,1H3
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n/an/a 45n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effect on synaptosomal uptake inhibition of Noradrenaline (NA)


J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50020240
PNG
(1-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-4-meth...)
Show SMILES CN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C20H22F2N2/c1-23-8-10-24(11-9-23)20-13-18(14-2-4-15(21)5-3-14)17-7-6-16(22)12-19(17)20/h2-7,12,18,20H,8-11,13H2,1H3
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n/an/a 5.30n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D1, activity is expressed as IC50 values.


J Med Chem 38: 4380-92 (1995)


BindingDB Entry DOI: 10.7270/Q28C9V87
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50020240
PNG
(1-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-4-meth...)
Show SMILES CN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C20H22F2N2/c1-23-8-10-24(11-9-23)20-13-18(14-2-4-15(21)5-3-14)17-7-6-16(22)12-19(17)20/h2-7,12,18,20H,8-11,13H2,1H3
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n/an/a 410n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2


J Med Chem 38: 4380-92 (1995)


BindingDB Entry DOI: 10.7270/Q28C9V87
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50020240
PNG
(1-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-4-meth...)
Show SMILES CN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C20H22F2N2/c1-23-8-10-24(11-9-23)20-13-18(14-2-4-15(21)5-3-14)17-7-6-16(22)12-19(17)20/h2-7,12,18,20H,8-11,13H2,1H3
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n/an/a 5.30n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D1, activity is expressed as IC50 values.


J Med Chem 38: 4380-92 (1995)


BindingDB Entry DOI: 10.7270/Q28C9V87
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50020240
PNG
(1-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-4-meth...)
Show SMILES CN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C20H22F2N2/c1-23-8-10-24(11-9-23)20-13-18(14-2-4-15(21)5-3-14)17-7-6-16(22)12-19(17)20/h2-7,12,18,20H,8-11,13H2,1H3
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n/an/a 6.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effect on synaptosomal uptake inhibition of 5-hydroxytryptamine (5-HT)


J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50020240
PNG
(1-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-4-meth...)
Show SMILES CN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C20H22F2N2/c1-23-8-10-24(11-9-23)20-13-18(14-2-4-15(21)5-3-14)17-7-6-16(22)12-19(17)20/h2-7,12,18,20H,8-11,13H2,1H3
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n/an/a 91n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to Dopamine receptor D2 from rat striatal membranes


J Med Chem 31: 2247-56 (1989)


BindingDB Entry DOI: 10.7270/Q2JQ11K7
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50020240
PNG
(1-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-4-meth...)
Show SMILES CN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C20H22F2N2/c1-23-8-10-24(11-9-23)20-13-18(14-2-4-15(21)5-3-14)17-7-6-16(22)12-19(17)20/h2-7,12,18,20H,8-11,13H2,1H3
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n/an/a 7.70n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to 5-hydroxytryptamine 2 receptor from rat cortical membranes


J Med Chem 31: 2247-56 (1989)


BindingDB Entry DOI: 10.7270/Q2JQ11K7
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50020240
PNG
(1-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-4-meth...)
Show SMILES CN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C20H22F2N2/c1-23-8-10-24(11-9-23)20-13-18(14-2-4-15(21)5-3-14)17-7-6-16(22)12-19(17)20/h2-7,12,18,20H,8-11,13H2,1H3
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n/an/a 22n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]prazosin binding to alpha-1 adrenergic receptor from rat cortical membranes


J Med Chem 31: 2247-56 (1989)


BindingDB Entry DOI: 10.7270/Q2JQ11K7
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50020240
PNG
(1-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-4-meth...)
Show SMILES CN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C20H22F2N2/c1-23-8-10-24(11-9-23)20-13-18(14-2-4-15(21)5-3-14)17-7-6-16(22)12-19(17)20/h2-7,12,18,20H,8-11,13H2,1H3
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n/an/a 57n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]haloperidol from rat striatal membranes, in order to measure its intrinsic affinity for the dopamine (DA) receptor


J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50020240
PNG
(1-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-4-meth...)
Show SMILES CN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C20H22F2N2/c1-23-8-10-24(11-9-23)20-13-18(14-2-4-15(21)5-3-14)17-7-6-16(22)12-19(17)20/h2-7,12,18,20H,8-11,13H2,1H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]haloperidol from rat striatal membranes, in order to measure its intrinsic affinity for the dopamine (DA) receptor


J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50020240
PNG
(1-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-4-meth...)
Show SMILES CN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C20H22F2N2/c1-23-8-10-24(11-9-23)20-13-18(14-2-4-15(21)5-3-14)17-7-6-16(22)12-19(17)20/h2-7,12,18,20H,8-11,13H2,1H3
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n/an/a 780n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]haloperidol from rat striatal membranes, in order to measure its intrinsic affinity for the dopamine (DA) receptor


J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50020240
PNG
(1-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-4-meth...)
Show SMILES CN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C20H22F2N2/c1-23-8-10-24(11-9-23)20-13-18(14-2-4-15(21)5-3-14)17-7-6-16(22)12-19(17)20/h2-7,12,18,20H,8-11,13H2,1H3
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n/an/a 22n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]haloperidol from rat striatal membranes, in order to measure its intrinsic affinity for the dopamine (DA) receptor


J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50020240
PNG
(1-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-4-meth...)
Show SMILES CN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C20H22F2N2/c1-23-8-10-24(11-9-23)20-13-18(14-2-4-15(21)5-3-14)17-7-6-16(22)12-19(17)20/h2-7,12,18,20H,8-11,13H2,1H3
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n/an/a 630n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effect on synaptosomal uptake inhibition of 5-hydroxytryptamine (5-HT)


J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50020240
PNG
(1-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-4-meth...)
Show SMILES CN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C20H22F2N2/c1-23-8-10-24(11-9-23)20-13-18(14-2-4-15(21)5-3-14)17-7-6-16(22)12-19(17)20/h2-7,12,18,20H,8-11,13H2,1H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effect on synaptosomal uptake inhibition of 5-hydroxytryptamine (5-HT)


J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50020240
PNG
(1-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-4-meth...)
Show SMILES CN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C20H22F2N2/c1-23-8-10-24(11-9-23)20-13-18(14-2-4-15(21)5-3-14)17-7-6-16(22)12-19(17)20/h2-7,12,18,20H,8-11,13H2,1H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effect on synaptosomal uptake inhibition of 5-hydroxytryptamine (5-HT)


J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50020240
PNG
(1-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-4-meth...)
Show SMILES CN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C20H22F2N2/c1-23-8-10-24(11-9-23)20-13-18(14-2-4-15(21)5-3-14)17-7-6-16(22)12-19(17)20/h2-7,12,18,20H,8-11,13H2,1H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effect on synaptosomal uptake inhibition of Dopamine transporter


J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50020240
PNG
(1-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-4-meth...)
Show SMILES CN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C20H22F2N2/c1-23-8-10-24(11-9-23)20-13-18(14-2-4-15(21)5-3-14)17-7-6-16(22)12-19(17)20/h2-7,12,18,20H,8-11,13H2,1H3
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n/an/a 180n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effect on synaptosomal uptake inhibition of Dopamine transporter


J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50020240
PNG
(1-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-4-meth...)
Show SMILES CN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C20H22F2N2/c1-23-8-10-24(11-9-23)20-13-18(14-2-4-15(21)5-3-14)17-7-6-16(22)12-19(17)20/h2-7,12,18,20H,8-11,13H2,1H3
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n/an/a 88n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effect on synaptosomal uptake inhibition of Dopamine transporter


J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50020240
PNG
(1-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-4-meth...)
Show SMILES CN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C20H22F2N2/c1-23-8-10-24(11-9-23)20-13-18(14-2-4-15(21)5-3-14)17-7-6-16(22)12-19(17)20/h2-7,12,18,20H,8-11,13H2,1H3
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n/an/a 1.30E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effect on synaptosomal uptake inhibition of Noradrenaline (NA)


J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50020240
PNG
(1-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-4-meth...)
Show SMILES CN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C20H22F2N2/c1-23-8-10-24(11-9-23)20-13-18(14-2-4-15(21)5-3-14)17-7-6-16(22)12-19(17)20/h2-7,12,18,20H,8-11,13H2,1H3
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n/an/a 97n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effect on synaptosomal uptake inhibition of Noradrenaline (NA)


J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50020240
PNG
(1-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-4-meth...)
Show SMILES CN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C20H22F2N2/c1-23-8-10-24(11-9-23)20-13-18(14-2-4-15(21)5-3-14)17-7-6-16(22)12-19(17)20/h2-7,12,18,20H,8-11,13H2,1H3
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n/an/a 32n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effect on synaptosomal uptake inhibition of Noradrenaline (NA)


J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50020240
PNG
(1-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-4-meth...)
Show SMILES CN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C20H22F2N2/c1-23-8-10-24(11-9-23)20-13-18(14-2-4-15(21)5-3-14)17-7-6-16(22)12-19(17)20/h2-7,12,18,20H,8-11,13H2,1H3
PDB

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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


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PubMed
n/an/a 31n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2


J Med Chem 38: 4380-92 (1995)


BindingDB Entry DOI: 10.7270/Q28C9V87
More data for this
Ligand-Target Pair