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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Serotonin 2 (5-HT2) receptor' and Ligand = 'BDBM50005836'   
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
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50005836
PNG
(4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl...)
Show SMILES COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)
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KEGG
PC cid
PC sid
UniChem

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Article
PubMed
6.10n/an/an/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]GR-65630 binding to 5-hydroxytryptamine 3 receptor


J Med Chem 35: 1486-9 (1992)


Article DOI: 10.1021/jm00086a019
BindingDB Entry DOI: 10.7270/Q2CC11B3
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Homo sapiens (Human))
BDBM50005836
PNG
(4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl...)
Show SMILES COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)
MMDB

KEGG

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KEGG
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 6.10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2 receptor


J Med Chem 49: 1125-39 (2006)


Article DOI: 10.1021/jm0509501
BindingDB Entry DOI: 10.7270/Q2W096Q0
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Homo sapiens (Human))
BDBM50005836
PNG
(4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl...)
Show SMILES COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)
MMDB

KEGG

UniProtKB/SwissProt

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CHEMBL
KEGG
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 6.10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Concentration required for inhibition of 5-hydroxytryptamine 2 receptor using [3H]ketanserin as the radioligand


Bioorg Med Chem Lett 14: 5509-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.005
BindingDB Entry DOI: 10.7270/Q2NV9K0K
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50005836
PNG
(4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl...)
Show SMILES COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)
UniProtKB/SwissProt

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CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 9.80n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 2 receptor by 3H ligand binding experiments.


J Med Chem 34: 616-24 (1991)


Article DOI: 10.1021/jm00106a023
BindingDB Entry DOI: 10.7270/Q29887M5
More data for this
Ligand-Target Pair