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BDBM50359429 CHEMBL1926758

SMILES: Oc1csc(=O)n1CCCCCNCC1CCc2ccccc2O1

InChI Key: InChIKey=BECZXSSRKPETSS-UHFFFAOYSA-N

Data: 6 KI  1 EC50

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 7 hits for monomerid = 50359429   
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50359429
PNG
(CHEMBL1926758)
Show SMILES Oc1csc(=O)n1CCCCCNCC1CCc2ccccc2O1
Show InChI InChI=1S/C18H24N2O3S/c21-17-13-24-18(22)20(17)11-5-1-4-10-19-12-15-9-8-14-6-2-3-7-16(14)23-15/h2-3,6-7,13,15,19,21H,1,4-5,8-12H2
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5.5n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in Sprague-Dawley albinus rat cerebral cortex membranes after 15 mins


J Med Chem 54: 7986-99 (2011)


Article DOI: 10.1021/jm2007886
BindingDB Entry DOI: 10.7270/Q2R49R61
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50359429
PNG
(CHEMBL1926758)
Show SMILES Oc1csc(=O)n1CCCCCNCC1CCc2ccccc2O1
Show InChI InChI=1S/C18H24N2O3S/c21-17-13-24-18(22)20(17)11-5-1-4-10-19-12-15-9-8-14-6-2-3-7-16(14)23-15/h2-3,6-7,13,15,19,21H,1,4-5,8-12H2
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123n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from 5HT7 receptor in Sprague-Dawley albinus rat hypothalamic membranes after 120 mins


J Med Chem 54: 7986-99 (2011)


Article DOI: 10.1021/jm2007886
BindingDB Entry DOI: 10.7270/Q2R49R61
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50359429
PNG
(CHEMBL1926758)
Show SMILES Oc1csc(=O)n1CCCCCNCC1CCc2ccccc2O1
Show InChI InChI=1S/C18H24N2O3S/c21-17-13-24-18(22)20(17)11-5-1-4-10-19-12-15-9-8-14-6-2-3-7-16(14)23-15/h2-3,6-7,13,15,19,21H,1,4-5,8-12H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in Sprague-Dawley albinus rat frontal cortex membranes after 15 mins


J Med Chem 54: 7986-99 (2011)


Article DOI: 10.1021/jm2007886
BindingDB Entry DOI: 10.7270/Q2R49R61
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50359429
PNG
(CHEMBL1926758)
Show SMILES Oc1csc(=O)n1CCCCCNCC1CCc2ccccc2O1
Show InChI InChI=1S/C18H24N2O3S/c21-17-13-24-18(22)20(17)11-5-1-4-10-19-12-15-9-8-14-6-2-3-7-16(14)23-15/h2-3,6-7,13,15,19,21H,1,4-5,8-12H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in Sprague-Dawley albinus rat striatal membranes after 15 mins


J Med Chem 54: 7986-99 (2011)


Article DOI: 10.1021/jm2007886
BindingDB Entry DOI: 10.7270/Q2R49R61
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50359429
PNG
(CHEMBL1926758)
Show SMILES Oc1csc(=O)n1CCCCCNCC1CCc2ccccc2O1
Show InChI InChI=1S/C18H24N2O3S/c21-17-13-24-18(22)20(17)11-5-1-4-10-19-12-15-9-8-14-6-2-3-7-16(14)23-15/h2-3,6-7,13,15,19,21H,1,4-5,8-12H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5HT4 receptor in Sprague-Dawley albinus rat striatal membranes after 30 mins by scintillation counting


J Med Chem 54: 7986-99 (2011)


Article DOI: 10.1021/jm2007886
BindingDB Entry DOI: 10.7270/Q2R49R61
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50359429
PNG
(CHEMBL1926758)
Show SMILES Oc1csc(=O)n1CCCCCNCC1CCc2ccccc2O1
Show InChI InChI=1S/C18H24N2O3S/c21-17-13-24-18(22)20(17)11-5-1-4-10-19-12-15-9-8-14-6-2-3-7-16(14)23-15/h2-3,6-7,13,15,19,21H,1,4-5,8-12H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-LY278584 from 5HT3 receptor in Sprague-Dawley albinus rat cerebral cortex membranes after 30 mins


J Med Chem 54: 7986-99 (2011)


Article DOI: 10.1021/jm2007886
BindingDB Entry DOI: 10.7270/Q2R49R61
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50359429
PNG
(CHEMBL1926758)
Show SMILES Oc1csc(=O)n1CCCCCNCC1CCc2ccccc2O1
Show InChI InChI=1S/C18H24N2O3S/c21-17-13-24-18(22)20(17)11-5-1-4-10-19-12-15-9-8-14-6-2-3-7-16(14)23-15/h2-3,6-7,13,15,19,21H,1,4-5,8-12H2
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antibodypedia
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PubMed
n/an/an/an/a 34.2n/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT1A receptor expressed in human HeLa cells assessed as inhibition of forskolin-stimulated cAMP production pretreated 20 m...


J Med Chem 54: 7986-99 (2011)


Article DOI: 10.1021/jm2007886
BindingDB Entry DOI: 10.7270/Q2R49R61
More data for this
Ligand-Target Pair