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BDBM50103841 8-(4-Biphenyl-3-ylmethyl-piperazin-1-yl)-4H-benzo[1,4]oxazin-3-one::CHEMBL305920

SMILES: O=C1COc2c(N1)cccc2N1CCN(Cc2cccc(c2)-c2ccccc2)CC1

InChI Key: InChIKey=FMEYZGBIOSKJJC-UHFFFAOYSA-N

Data: 2 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50103841   
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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50103841
PNG
(8-(4-Biphenyl-3-ylmethyl-piperazin-1-yl)-4H-benzo[...)
Show SMILES O=C1COc2c(N1)cccc2N1CCN(Cc2cccc(c2)-c2ccccc2)CC1
Show InChI InChI=1S/C25H25N3O2/c29-24-18-30-25-22(26-24)10-5-11-23(25)28-14-12-27(13-15-28)17-19-6-4-9-21(16-19)20-7-2-1-3-8-20/h1-11,16H,12-15,17-18H2,(H,26,29)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 determined using [3H]-spiperone


Bioorg Med Chem Lett 11: 2345-9 (2001)


BindingDB Entry DOI: 10.7270/Q2RR1XH9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50103841
PNG
(8-(4-Biphenyl-3-ylmethyl-piperazin-1-yl)-4H-benzo[...)
Show SMILES O=C1COc2c(N1)cccc2N1CCN(Cc2cccc(c2)-c2ccccc2)CC1
Show InChI InChI=1S/C25H25N3O2/c29-24-18-30-25-22(26-24)10-5-11-23(25)28-14-12-27(13-15-28)17-19-6-4-9-21(16-19)20-7-2-1-3-8-20/h1-11,16H,12-15,17-18H2,(H,26,29)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
49n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1A receptor determined using [3H]-8-OH-DPAT as radioligand


Bioorg Med Chem Lett 11: 2345-9 (2001)


BindingDB Entry DOI: 10.7270/Q2RR1XH9
More data for this
Ligand-Target Pair