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BDBM50301478 1-(4-chlorophenyl)-3-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-(4-methylpiperazin-1-yl)ethoxy)phenyl)urea::CHEMBL568108

SMILES: CN1CCN(CCOc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2-c2ccnn2C)CC1

InChI Key: InChIKey=KWXBBKJZUSKVAU-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 = 50301478   
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))
BDBM50301478
PNG
(1-(4-chlorophenyl)-3-(3-(1-methyl-1H-pyrazol-5-yl)...)
Show SMILES CN1CCN(CCOc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2-c2ccnn2C)CC1
Show InChI InChI=1S/C24H29ClN6O2/c1-29-11-13-31(14-12-29)15-16-33-23-8-7-20(17-21(23)22-9-10-26-30(22)2)28-24(32)27-19-5-3-18(25)4-6-19/h3-10,17H,11-16H2,1-2H3,(H2,27,28,32)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.10n/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))
BDBM50301478
PNG
(1-(4-chlorophenyl)-3-(3-(1-methyl-1H-pyrazol-5-yl)...)
Show SMILES CN1CCN(CCOc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2-c2ccnn2C)CC1
Show InChI InChI=1S/C24H29ClN6O2/c1-29-11-13-31(14-12-29)15-16-33-23-8-7-20(17-21(23)22-9-10-26-30(22)2)28-24(32)27-19-5-3-18(25)4-6-19/h3-10,17H,11-16H2,1-2H3,(H2,27,28,32)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
103n/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