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BDBM50176041 (S)-8-{4-[3-(5-Fluoro-1H-indol-3-yl)-propyl]-piperazin-1-yl}-2-methyl-4H-benzo[1,4]oxazin-3-one::CHEMBL370457

SMILES: C[C@@H]1Oc2c(NC1=O)cccc2N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1

InChI Key: InChIKey=SDAMYSWGWHXMRT-INIZCTEOSA-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 = 50176041   
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
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50176041
PNG
((S)-8-{4-[3-(5-Fluoro-1H-indol-3-yl)-propyl]-piper...)
Show SMILES C[C@@H]1Oc2c(NC1=O)cccc2N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1
Show InChI InChI=1S/C24H27FN4O2/c1-16-24(30)27-21-5-2-6-22(23(21)31-16)29-12-10-28(11-13-29)9-3-4-17-15-26-20-8-7-18(25)14-19(17)20/h2,5-8,14-16,26H,3-4,9-13H2,1H3,(H,27,30)/t16-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.700n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-paroxetine binding to rat frontal cortex membrane serotonin reuptake site


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50176041
PNG
((S)-8-{4-[3-(5-Fluoro-1H-indol-3-yl)-propyl]-piper...)
Show SMILES C[C@@H]1Oc2c(NC1=O)cccc2N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1
Show InChI InChI=1S/C24H27FN4O2/c1-16-24(30)27-21-5-2-6-22(23(21)31-16)29-12-10-28(11-13-29)9-3-4-17-15-26-20-8-7-18(25)14-19(17)20/h2,5-8,14-16,26H,3-4,9-13H2,1H3,(H,27,30)/t16-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.70n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-spiperone binding to human dopamine D2 receptor expressed in CHO cells


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair