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BDBM50301515 1-(3-(4-bromo-1-methyl-1H-pyrazol-5-yl)-4-(2-morpholinoethoxy)phenyl)-3-(4-chlorophenyl)urea::CHEMBL571917

SMILES: Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCOCC1

InChI Key: InChIKey=RNYHWTXZYQHTBA-UHFFFAOYSA-N

Data: 2 KI

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 2 hits for monomerid = 50301515   
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
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50301515
PNG
(1-(3-(4-bromo-1-methyl-1H-pyrazol-5-yl)-4-(2-morph...)
Show SMILES Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCOCC1 |(4.32,-25.83,;4.29,-27.37,;5.52,-28.3,;5.01,-29.76,;3.47,-29.72,;2.54,-30.95,;3.03,-28.25,;1.58,-27.73,;.25,-28.5,;-1.08,-27.73,;-2.42,-28.5,;-3.75,-27.73,;-3.75,-26.19,;-5.08,-28.51,;-6.42,-27.74,;-7.75,-28.51,;-9.09,-27.74,;-9.09,-26.2,;-10.42,-25.43,;-7.76,-25.42,;-6.42,-26.19,;-1.09,-26.2,;.24,-25.42,;1.58,-26.19,;2.91,-25.41,;2.91,-23.87,;4.24,-23.1,;5.57,-23.87,;5.57,-25.4,;6.9,-26.17,;8.24,-25.4,;8.23,-23.86,;6.9,-23.08,)|
Show InChI InChI=1S/C23H25BrClN5O3/c1-29-22(20(24)15-26-29)19-14-18(28-23(31)27-17-4-2-16(25)3-5-17)6-7-21(19)33-13-10-30-8-11-32-12-9-30/h2-7,14-15H,8-13H2,1H3,(H2,27,28,31)
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.630n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor expressed in HEK cells


Bioorg Med Chem Lett 19: 5486-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.073
BindingDB Entry DOI: 10.7270/Q20V8CWG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50301515
PNG
(1-(3-(4-bromo-1-methyl-1H-pyrazol-5-yl)-4-(2-morph...)
Show SMILES Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCOCC1 |(4.32,-25.83,;4.29,-27.37,;5.52,-28.3,;5.01,-29.76,;3.47,-29.72,;2.54,-30.95,;3.03,-28.25,;1.58,-27.73,;.25,-28.5,;-1.08,-27.73,;-2.42,-28.5,;-3.75,-27.73,;-3.75,-26.19,;-5.08,-28.51,;-6.42,-27.74,;-7.75,-28.51,;-9.09,-27.74,;-9.09,-26.2,;-10.42,-25.43,;-7.76,-25.42,;-6.42,-26.19,;-1.09,-26.2,;.24,-25.42,;1.58,-26.19,;2.91,-25.41,;2.91,-23.87,;4.24,-23.1,;5.57,-23.87,;5.57,-25.4,;6.9,-26.17,;8.24,-25.4,;8.23,-23.86,;6.9,-23.08,)|
Show InChI InChI=1S/C23H25BrClN5O3/c1-29-22(20(24)15-26-29)19-14-18(28-23(31)27-17-4-2-16(25)3-5-17)6-7-21(19)33-13-10-30-8-11-32-12-9-30/h2-7,14-15H,8-13H2,1H3,(H2,27,28,31)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
12.7n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor expressed in HEK cells


Bioorg Med Chem Lett 19: 5486-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.073
BindingDB Entry DOI: 10.7270/Q20V8CWG
More data for this
Ligand-Target Pair