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BDBM50222854 6-(4-luorophenoxy)-3-{[(3S)-1-isopropylpiperidin-3-yl]-methyl}quinazolin-4(3H)-one::CHEMBL243703

SMILES: CC(C)N1CCC[C@H](Cn2cnc3ccc(Oc4ccc(F)cc4)cc3c2=O)C1

InChI Key: InChIKey=KVPCNAOFPBDLEG-KRWDZBQOSA-N

Data: 2 KI  1 IC50

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 = 50222854   
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
Ghrelin receptor


(Ovis aries)
BDBM50222854
PNG
(6-(4-luorophenoxy)-3-{[(3S)-1-isopropylpiperidin-3...)
Show SMILES CC(C)N1CCC[C@H](Cn2cnc3ccc(Oc4ccc(F)cc4)cc3c2=O)C1
Show InChI InChI=1S/C23H26FN3O2/c1-16(2)26-11-3-4-17(13-26)14-27-15-25-22-10-9-20(12-21(22)23(27)28)29-19-7-5-18(24)6-8-19/h5-10,12,15-17H,3-4,11,13-14H2,1-2H3/t17-/m0/s1
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
18n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50222854
PNG
(6-(4-luorophenoxy)-3-{[(3S)-1-isopropylpiperidin-3...)
Show SMILES CC(C)N1CCC[C@H](Cn2cnc3ccc(Oc4ccc(F)cc4)cc3c2=O)C1
Show InChI InChI=1S/C23H26FN3O2/c1-16(2)26-11-3-4-17(13-26)14-27-15-25-22-10-9-20(12-21(22)23(27)28)29-19-7-5-18(24)6-8-19/h5-10,12,15-17H,3-4,11,13-14H2,1-2H3/t17-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]DIO from 5HT2c receptor


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50222854
PNG
(6-(4-luorophenoxy)-3-{[(3S)-1-isopropylpiperidin-3...)
Show SMILES CC(C)N1CCC[C@H](Cn2cnc3ccc(Oc4ccc(F)cc4)cc3c2=O)C1
Show InChI InChI=1S/C23H26FN3O2/c1-16(2)26-11-3-4-17(13-26)14-27-15-25-22-10-9-20(12-21(22)23(27)28)29-19-7-5-18(24)6-8-19/h5-10,12,15-17H,3-4,11,13-14H2,1-2H3/t17-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.10E+4n/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair