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BDBM50301512 1-(3-(4-bromo-1-methyl-1H-pyrazol-5-yl)-4-(2-(piperidin-1-yl)ethoxy)phenyl)-3-(4-chlorophenyl)urea::CHEMBL567877

SMILES: Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCCCC1

InChI Key: InChIKey=KZTBTZPPFWBWTI-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 = 50301512   
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))
BDBM50301512
PNG
(1-(3-(4-bromo-1-methyl-1H-pyrazol-5-yl)-4-(2-(pipe...)
Show SMILES Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCCCC1 |(28.26,-6.71,;28.23,-8.25,;29.46,-9.19,;28.95,-10.64,;27.41,-10.6,;26.47,-11.83,;26.97,-9.13,;25.52,-8.61,;24.19,-9.38,;22.86,-8.61,;21.52,-9.38,;20.19,-8.62,;20.19,-7.08,;18.86,-9.39,;17.52,-8.62,;16.18,-9.39,;14.85,-8.62,;14.85,-7.08,;13.52,-6.31,;16.18,-6.31,;17.52,-7.07,;22.85,-7.08,;24.17,-6.3,;25.52,-7.07,;26.85,-6.3,;26.84,-4.76,;28.18,-3.98,;29.51,-4.75,;29.51,-6.29,;30.84,-7.05,;32.17,-6.28,;32.17,-4.74,;30.83,-3.97,)|
Show InChI InChI=1S/C24H27BrClN5O2/c1-30-23(21(25)16-27-30)20-15-19(29-24(32)28-18-7-5-17(26)6-8-18)9-10-22(20)33-14-13-31-11-3-2-4-12-31/h5-10,15-16H,2-4,11-14H2,1H3,(H2,28,29,32)
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.660n/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))
BDBM50301512
PNG
(1-(3-(4-bromo-1-methyl-1H-pyrazol-5-yl)-4-(2-(pipe...)
Show SMILES Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCCCC1 |(28.26,-6.71,;28.23,-8.25,;29.46,-9.19,;28.95,-10.64,;27.41,-10.6,;26.47,-11.83,;26.97,-9.13,;25.52,-8.61,;24.19,-9.38,;22.86,-8.61,;21.52,-9.38,;20.19,-8.62,;20.19,-7.08,;18.86,-9.39,;17.52,-8.62,;16.18,-9.39,;14.85,-8.62,;14.85,-7.08,;13.52,-6.31,;16.18,-6.31,;17.52,-7.07,;22.85,-7.08,;24.17,-6.3,;25.52,-7.07,;26.85,-6.3,;26.84,-4.76,;28.18,-3.98,;29.51,-4.75,;29.51,-6.29,;30.84,-7.05,;32.17,-6.28,;32.17,-4.74,;30.83,-3.97,)|
Show InChI InChI=1S/C24H27BrClN5O2/c1-30-23(21(25)16-27-30)20-15-19(29-24(32)28-18-7-5-17(26)6-8-18)9-10-22(20)33-14-13-31-11-3-2-4-12-31/h5-10,15-16H,2-4,11-14H2,1H3,(H2,28,29,32)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
21.4n/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