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1 similar compounds to monomer 50327604

Compile data set for download or QSAR
Wt: 421.5
BDBM50327614

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50327614   
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))
BDBM50327614
PNG
(6-(4-(4-(chroman-8-yl)piperazin-1-yl)butoxy)isoind...)
Show SMILES O=C1NCc2ccc(OCCCCN3CCN(CC3)c3cccc4CCCOc34)cc12
Show InChI InChI=1S/C25H31N3O3/c29-25-22-17-21(9-8-20(22)18-26-25)30-15-2-1-10-27-11-13-28(14-12-27)23-7-3-5-19-6-4-16-31-24(19)23/h3,5,7-9,17H,1-2,4,6,10-16,18H2,(H,26,29)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.576n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-Spiperone from human dopamine D2L receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 5666-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.023
BindingDB Entry DOI: 10.7270/Q2HH6K9S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50327614
PNG
(6-(4-(4-(chroman-8-yl)piperazin-1-yl)butoxy)isoind...)
Show SMILES O=C1NCc2ccc(OCCCCN3CCN(CC3)c3cccc4CCCOc34)cc12
Show InChI InChI=1S/C25H31N3O3/c29-25-22-17-21(9-8-20(22)18-26-25)30-15-2-1-10-27-11-13-28(14-12-27)23-7-3-5-19-6-4-16-31-24(19)23/h3,5,7-9,17H,1-2,4,6,10-16,18H2,(H,26,29)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.863n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT1A receptor expressed in HeLa cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 5666-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.023
BindingDB Entry DOI: 10.7270/Q2HH6K9S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50327614
PNG
(6-(4-(4-(chroman-8-yl)piperazin-1-yl)butoxy)isoind...)
Show SMILES O=C1NCc2ccc(OCCCCN3CCN(CC3)c3cccc4CCCOc34)cc12
Show InChI InChI=1S/C25H31N3O3/c29-25-22-17-21(9-8-20(22)18-26-25)30-15-2-1-10-27-11-13-28(14-12-27)23-7-3-5-19-6-4-16-31-24(19)23/h3,5,7-9,17H,1-2,4,6,10-16,18H2,(H,26,29)
Reactome pathway
KEGG

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
17.1n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2A receptor


Bioorg Med Chem Lett 20: 5666-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.023
BindingDB Entry DOI: 10.7270/Q2HH6K9S
More data for this
Ligand-Target Pair