BindingDB logo
myBDB logout

BDBM50280296 1,1-Dioxo-2-[(1R,2S)-2-(4-pyrimidin-2-yl-piperazin-1-ylmethyl)-cyclopropylmethyl]-1,2-dihydro-1lambda*6*-benzo[d]isothiazol-3-one::CHEMBL48100

SMILES: O=C1N(C[C@@H]2C[C@@H]2CN2CCN(CC2)c2ncccn2)S(=O)(=O)c2ccccc12

InChI Key: InChIKey=KNTNKMFODKUWSB-CVEARBPZSA-N

Data: 1 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 1 hit for monomerid = 50280296   
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
5-hydroxytryptamine receptor 1A (5HT1A)


(Mus musculus (Mouse))
BDBM50280296
PNG
(1,1-Dioxo-2-[(1R,2S)-2-(4-pyrimidin-2-yl-piperazin...)
Show SMILES O=C1N(C[C@@H]2C[C@@H]2CN2CCN(CC2)c2ncccn2)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C20H23N5O3S/c26-19-17-4-1-2-5-18(17)29(27,28)25(19)14-16-12-15(16)13-23-8-10-24(11-9-23)20-21-6-3-7-22-20/h1-7,15-16H,8-14H2/t15-,16+/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
44n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity to 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as a radioligand


Bioorg Med Chem Lett 2: 1703-1706 (1992)


Article DOI: 10.1016/S0960-894X(00)80460-6
BindingDB Entry DOI: 10.7270/Q25M65N7
More data for this
Ligand-Target Pair