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Compile Data Set for Download or QSAR

Found 6 hits of ki for monomerid = 50002107   
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
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50002107
PNG
(3-{4-[4-(6-Fluoro-benzo[b]thiophen-3-yl)-piperazin...)
Show SMILES CC1SC(C)(C)C(=O)N1CCCCN1CCN(CC1)c1csc2cc(F)ccc12
Show InChI InChI=1S/C22H30FN3OS2/c1-16-26(21(27)22(2,3)29-16)9-5-4-8-24-10-12-25(13-11-24)19-15-28-20-14-17(23)6-7-18(19)20/h6-7,14-16H,4-5,8-13H2,1-3H3
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Article
PubMed
5n/an/an/an/an/an/an/an/a



Hoechst Marion Roussel, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D4.2 in CHO cells


J Med Chem 39: 4044-57 (1996)


Article DOI: 10.1021/jm960268u
BindingDB Entry DOI: 10.7270/Q2ST7QH3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50002107
PNG
(3-{4-[4-(6-Fluoro-benzo[b]thiophen-3-yl)-piperazin...)
Show SMILES CC1SC(C)(C)C(=O)N1CCCCN1CCN(CC1)c1csc2cc(F)ccc12
Show InChI InChI=1S/C22H30FN3OS2/c1-16-26(21(27)22(2,3)29-16)9-5-4-8-24-10-12-25(13-11-24)19-15-28-20-14-17(23)6-7-18(19)20/h6-7,14-16H,4-5,8-13H2,1-3H3
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8n/an/an/an/an/an/an/an/a



Hoechst Marion Roussel, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-HT2A receptor in BEK cells


J Med Chem 39: 4044-57 (1996)


Article DOI: 10.1021/jm960268u
BindingDB Entry DOI: 10.7270/Q2ST7QH3
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50002107
PNG
(3-{4-[4-(6-Fluoro-benzo[b]thiophen-3-yl)-piperazin...)
Show SMILES CC1SC(C)(C)C(=O)N1CCCCN1CCN(CC1)c1csc2cc(F)ccc12
Show InChI InChI=1S/C22H30FN3OS2/c1-16-26(21(27)22(2,3)29-16)9-5-4-8-24-10-12-25(13-11-24)19-15-28-20-14-17(23)6-7-18(19)20/h6-7,14-16H,4-5,8-13H2,1-3H3
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20n/an/an/an/an/an/an/an/a



Hoechst-Roussel Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for in vitro binding affinity towards serotonin 5-hydroxytryptamine 2 receptor in rat cortex using [3H]- spiperone as radiolig...


J Med Chem 35: 2712-5 (1992)


BindingDB Entry DOI: 10.7270/Q2TH8KMC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50002107
PNG
(3-{4-[4-(6-Fluoro-benzo[b]thiophen-3-yl)-piperazin...)
Show SMILES CC1SC(C)(C)C(=O)N1CCCCN1CCN(CC1)c1csc2cc(F)ccc12
Show InChI InChI=1S/C22H30FN3OS2/c1-16-26(21(27)22(2,3)29-16)9-5-4-8-24-10-12-25(13-11-24)19-15-28-20-14-17(23)6-7-18(19)20/h6-7,14-16H,4-5,8-13H2,1-3H3
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40n/an/an/an/an/an/an/an/a



Hoechst-Roussel Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for in vitro binding affinity towards serotonin 5-hydroxytryptamine 1A receptor receptor in rat hippocampus using [3H]-8-OH-D...


J Med Chem 35: 2712-5 (1992)


BindingDB Entry DOI: 10.7270/Q2TH8KMC
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50002107
PNG
(3-{4-[4-(6-Fluoro-benzo[b]thiophen-3-yl)-piperazin...)
Show SMILES CC1SC(C)(C)C(=O)N1CCCCN1CCN(CC1)c1csc2cc(F)ccc12
Show InChI InChI=1S/C22H30FN3OS2/c1-16-26(21(27)22(2,3)29-16)9-5-4-8-24-10-12-25(13-11-24)19-15-28-20-14-17(23)6-7-18(19)20/h6-7,14-16H,4-5,8-13H2,1-3H3
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520n/an/an/an/an/an/an/an/a



Hoechst-Roussel Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for in vitro binding affinity towards Dopamine receptor D2 in rat striatum using [3H]- spiperone as radioligand


J Med Chem 35: 2712-5 (1992)


BindingDB Entry DOI: 10.7270/Q2TH8KMC
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50002107
PNG
(3-{4-[4-(6-Fluoro-benzo[b]thiophen-3-yl)-piperazin...)
Show SMILES CC1SC(C)(C)C(=O)N1CCCCN1CCN(CC1)c1csc2cc(F)ccc12
Show InChI InChI=1S/C22H30FN3OS2/c1-16-26(21(27)22(2,3)29-16)9-5-4-8-24-10-12-25(13-11-24)19-15-28-20-14-17(23)6-7-18(19)20/h6-7,14-16H,4-5,8-13H2,1-3H3
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2.74E+3n/an/an/an/an/an/an/an/a



Hoechst-Roussel Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for in vitro binding affinity towards Dopamine receptor D1 in striatum using [3H]- SCH 23390 as radioligand


J Med Chem 35: 2712-5 (1992)


BindingDB Entry DOI: 10.7270/Q2TH8KMC
More data for this
Ligand-Target Pair