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BDBM50083335 6-(4-Phenyl-piperazin-1-ylmethyl)-4H-benzo[1,4]oxazin-3-one::CHEMBL147130

SMILES: O=C1COc2ccc(CN3CCN(CC3)c3ccccc3)cc2N1

InChI Key: InChIKey=NFRIERLNKMVOKN-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50083335   
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(4) dopamine receptor


(Homo sapiens (Human))
BDBM50083335
PNG
(6-(4-Phenyl-piperazin-1-ylmethyl)-4H-benzo[1,4]oxa...)
Show SMILES O=C1COc2ccc(CN3CCN(CC3)c3ccccc3)cc2N1
Show InChI InChI=1S/C19H21N3O2/c23-19-14-24-18-7-6-15(12-17(18)20-19)13-21-8-10-22(11-9-21)16-4-2-1-3-5-16/h1-7,12H,8-11,13-14H2,(H,20,23)
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CHEMBL
PC cid
PC sid
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Similars

Article
PubMed
18n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine receptor D4 in CHO cells by radioligand displacement.


J Med Chem 42: 5181-7 (2000)


Article DOI: 10.1021/jm990277d
BindingDB Entry DOI: 10.7270/Q23T9HZ0
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50083335
PNG
(6-(4-Phenyl-piperazin-1-ylmethyl)-4H-benzo[1,4]oxa...)
Show SMILES O=C1COc2ccc(CN3CCN(CC3)c3ccccc3)cc2N1
Show InChI InChI=1S/C19H21N3O2/c23-19-14-24-18-7-6-15(12-17(18)20-19)13-21-8-10-22(11-9-21)16-4-2-1-3-5-16/h1-7,12H,8-11,13-14H2,(H,20,23)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
839n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine receptor D3 in CHO cells by radioligand displacement.


J Med Chem 42: 5181-7 (2000)


Article DOI: 10.1021/jm990277d
BindingDB Entry DOI: 10.7270/Q23T9HZ0
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50083335
PNG
(6-(4-Phenyl-piperazin-1-ylmethyl)-4H-benzo[1,4]oxa...)
Show SMILES O=C1COc2ccc(CN3CCN(CC3)c3ccccc3)cc2N1
Show InChI InChI=1S/C19H21N3O2/c23-19-14-24-18-7-6-15(12-17(18)20-19)13-21-8-10-22(11-9-21)16-4-2-1-3-5-16/h1-7,12H,8-11,13-14H2,(H,20,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.20E+3n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine receptor D2 in CHO cells by radioligand displacement.


J Med Chem 42: 5181-7 (2000)


Article DOI: 10.1021/jm990277d
BindingDB Entry DOI: 10.7270/Q23T9HZ0
More data for this
Ligand-Target Pair