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2 similar compounds to monomer 85079

Wt: 429.5
BDBM50216046
Wt: 457.5
BDBM50403668

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50216046,50403668   
Target
(Institution)
LigandTarget
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
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50216046
PNG
(2-(4-(4-phenyl-1-piperazinyl)butyl)-1,2-benzisothi...)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1
Show InChI InChI=1S/C22H27N3O4S/c1-29-20-10-4-3-9-19(20)24-16-14-23(15-17-24)12-6-7-13-25-22(26)18-8-2-5-11-21(18)30(25,27)28/h2-5,8-11H,6-7,12-17H2,1H3
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PubMed
6.20n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Antagonist activity at human Dopamine receptor D2 isoform long expressed in HEK293 cells assessed as change in quinpirole-induced intracellular calci...


Bioorg Med Chem 15: 5811-8 (2007)

More data for this
Ligand-Target Pair
Dopamine receptors; D3 & D4


(Homo sapiens (Human))
BDBM50216046
PNG
(2-(4-(4-phenyl-1-piperazinyl)butyl)-1,2-benzisothi...)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1
Show InChI InChI=1S/C22H27N3O4S/c1-29-20-10-4-3-9-19(20)24-16-14-23(15-17-24)12-6-7-13-25-22(26)18-8-2-5-11-21(18)30(25,27)28/h2-5,8-11H,6-7,12-17H2,1H3
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Article
PubMed
187n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiperone from human Dopamine D3 receptor expressed in CHO cells


Bioorg Med Chem 15: 5811-8 (2007)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50216046
PNG
(2-(4-(4-phenyl-1-piperazinyl)butyl)-1,2-benzisothi...)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1
Show InChI InChI=1S/C22H27N3O4S/c1-29-20-10-4-3-9-19(20)24-16-14-23(15-17-24)12-6-7-13-25-22(26)18-8-2-5-11-21(18)30(25,27)28/h2-5,8-11H,6-7,12-17H2,1H3
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PubMed
360n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiperone from human Dopamine receptor D2 isoform long expressed in HEK293 cells


Bioorg Med Chem 15: 5811-8 (2007)

More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50216046
PNG
(2-(4-(4-phenyl-1-piperazinyl)butyl)-1,2-benzisothi...)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1
Show InChI InChI=1S/C22H27N3O4S/c1-29-20-10-4-3-9-19(20)24-16-14-23(15-17-24)12-6-7-13-25-22(26)18-8-2-5-11-21(18)30(25,27)28/h2-5,8-11H,6-7,12-17H2,1H3
UniProtKB/SwissProt

antibodypedia
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PubMed
1.13E+3n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH 23390 from human Dopamine D5 receptor expressed in HEK293


Bioorg Med Chem 15: 5811-8 (2007)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50403668
PNG
(CHEMBL312339)
Show SMILES O=C1N(CCCCN2CCN(CC2)c2cccc3OCCOc23)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C23H27N3O5S/c27-23-18-6-1-2-9-21(18)32(28,29)26(23)11-4-3-10-24-12-14-25(15-13-24)19-7-5-8-20-22(19)31-17-16-30-20/h1-2,5-9H,3-4,10-17H2
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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PubMed
n/an/an/a 0.363n/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Compound was tested for its potency against 5-hydroxytryptamine 1A receptor in rat frontal cortex membranes (experiment 2)


Bioorg Med Chem Lett 8: 2457-62 (1999)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50403668
PNG
(CHEMBL312339)
Show SMILES O=C1N(CCCCN2CCN(CC2)c2cccc3OCCOc23)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C23H27N3O5S/c27-23-18-6-1-2-9-21(18)32(28,29)26(23)11-4-3-10-24-12-14-25(15-13-24)19-7-5-8-20-22(19)31-17-16-30-20/h1-2,5-9H,3-4,10-17H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/an/a 0.0794n/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Compound was tested for its potency against 5-hydroxytryptamine 1A receptor in rat frontal cortex membranes (experiment 1)


Bioorg Med Chem Lett 8: 2457-62 (1999)

More data for this
Ligand-Target Pair