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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2C' and Ligand = 'BDBM50171262'   
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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50171262
PNG
(1-Butyl-3-(2-dimethylamino-ethyl)-1H-indol-4-ol | ...)
Show SMILES CCCCn1cc(CCN(C)C)c2c(O)cccc12
Show InChI InChI=1S/C16H24N2O/c1-4-5-10-18-12-13(9-11-17(2)3)16-14(18)7-6-8-15(16)19/h6-8,12,19H,4-5,9-11H2,1-3H3
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Article
PubMed
4.40n/an/an/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Inhibition constant against human 5-hydroxytryptamine 2C receptor [INI isoforms] using [3H]-mesulergine as radioligand with the compound (10 uM) diss...


Bioorg Med Chem Lett 15: 4555-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.104
BindingDB Entry DOI: 10.7270/Q2PZ58B5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50171262
PNG
(1-Butyl-3-(2-dimethylamino-ethyl)-1H-indol-4-ol | ...)
Show SMILES CCCCn1cc(CCN(C)C)c2c(O)cccc12
Show InChI InChI=1S/C16H24N2O/c1-4-5-10-18-12-13(9-11-17(2)3)16-14(18)7-6-8-15(16)19/h6-8,12,19H,4-5,9-11H2,1-3H3
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PubMed
14n/an/an/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Inhibition constant against human 5-hydroxytryptamine 2C receptor [VGI isoforms] using [3H]-mesulergine as radioligand with the compound (10 uM) diss...


Bioorg Med Chem Lett 15: 4555-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.104
BindingDB Entry DOI: 10.7270/Q2PZ58B5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50171262
PNG
(1-Butyl-3-(2-dimethylamino-ethyl)-1H-indol-4-ol | ...)
Show SMILES CCCCn1cc(CCN(C)C)c2c(O)cccc12
Show InChI InChI=1S/C16H24N2O/c1-4-5-10-18-12-13(9-11-17(2)3)16-14(18)7-6-8-15(16)19/h6-8,12,19H,4-5,9-11H2,1-3H3
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PubMed
15.7n/an/an/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Inhibition constant against rat 5-hydroxytryptamine 2C receptor using [3H]-mesulergine as radioligand with the compound (10 uM) dissolved in DMSO


Bioorg Med Chem Lett 15: 4555-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.104
BindingDB Entry DOI: 10.7270/Q2PZ58B5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50171262
PNG
(1-Butyl-3-(2-dimethylamino-ethyl)-1H-indol-4-ol | ...)
Show SMILES CCCCn1cc(CCN(C)C)c2c(O)cccc12
Show InChI InChI=1S/C16H24N2O/c1-4-5-10-18-12-13(9-11-17(2)3)16-14(18)7-6-8-15(16)19/h6-8,12,19H,4-5,9-11H2,1-3H3
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PubMed
n/an/an/an/a 595n/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Effective concentration required for accumulation of [3H]-inositol phosphate in cells stably expressing human 5-hydroxytryptamine 2C receptor determi...


Bioorg Med Chem Lett 15: 4555-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.104
BindingDB Entry DOI: 10.7270/Q2PZ58B5
More data for this
Ligand-Target Pair