BindingDB logo
myBDB logout

BDBM50036928 2-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-butyl]-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[d]isothiazol-3-one::CHEMBL87294

SMILES: O=C1N(CCCCN2CCN(CC2)c2nsc3ccccc23)S(=O)(=O)c2ccccc12

InChI Key: InChIKey=UGVNGMAVECELKC-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50036928   
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50036928
PNG
(2-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...)
Show SMILES O=C1N(CCCCN2CCN(CC2)c2nsc3ccccc23)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C22H24N4O3S2/c27-22-18-8-2-4-10-20(18)31(28,29)26(22)12-6-5-11-24-13-15-25(16-14-24)21-17-7-1-3-9-19(17)30-23-21/h1-4,7-10H,5-6,11-16H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured on serotonergic 5-hydroxytryptamine 1A receptor by displacement of [3H]- tetralin


J Med Chem 37: 2552-63 (1994)


Article DOI: 10.1021/jm00042a008
BindingDB Entry DOI: 10.7270/Q2G15ZWF
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50036928
PNG
(2-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...)
Show SMILES O=C1N(CCCCN2CCN(CC2)c2nsc3ccccc23)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C22H24N4O3S2/c27-22-18-8-2-4-10-20(18)31(28,29)26(22)12-6-5-11-24-13-15-25(16-14-24)21-17-7-1-3-9-19(17)30-23-21/h1-4,7-10H,5-6,11-16H2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured by displacement of [3H]- raclopride from D2 receptor isolated from the striata of male Dawley rats


J Med Chem 37: 2552-63 (1994)


Article DOI: 10.1021/jm00042a008
BindingDB Entry DOI: 10.7270/Q2G15ZWF
More data for this
Ligand-Target Pair