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BDBM50314626 (S)-N-(4-(benzyloxy)benzyl)pyrrolidine-2-carboxamide::CHEMBL1091104

SMILES: O=C(NCc1ccc(OCc2ccccc2)cc1)[C@@H]1CCCN1

InChI Key: InChIKey=RRCBFAKQOPNBBC-SFHVURJKSA-N

Data: 2 KI  1 EC50

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 3 hits for monomerid = 50314626   
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 2C


(Homo sapiens (Human))
BDBM50314626
PNG
((S)-N-(4-(benzyloxy)benzyl)pyrrolidine-2-carboxami...)
Show SMILES O=C(NCc1ccc(OCc2ccccc2)cc1)[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C19H22N2O2/c22-19(18-7-4-12-20-18)21-13-15-8-10-17(11-9-15)23-14-16-5-2-1-3-6-16/h1-3,5-6,8-11,18,20H,4,7,12-14H2,(H,21,22)/t18-/m0/s1
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
20n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50314626
PNG
((S)-N-(4-(benzyloxy)benzyl)pyrrolidine-2-carboxami...)
Show SMILES O=C(NCc1ccc(OCc2ccccc2)cc1)[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C19H22N2O2/c22-19(18-7-4-12-20-18)21-13-15-8-10-17(11-9-15)23-14-16-5-2-1-3-6-16/h1-3,5-6,8-11,18,20H,4,7,12-14H2,(H,21,22)/t18-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.72E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2B receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50314626
PNG
((S)-N-(4-(benzyloxy)benzyl)pyrrolidine-2-carboxami...)
Show SMILES O=C(NCc1ccc(OCc2ccccc2)cc1)[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C19H22N2O2/c22-19(18-7-4-12-20-18)21-13-15-8-10-17(11-9-15)23-14-16-5-2-1-3-6-16/h1-3,5-6,8-11,18,20H,4,7,12-14H2,(H,21,22)/t18-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 73n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2C receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair