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BDBM50054707 CHEMBL344994::Pyridine-2-carboxylic acid [4-(4-benzo[d]isothiazol-3-yl-piperazin-1-yl)-butyl]-amide

SMILES: O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1ccccn1

InChI Key: InChIKey=UEVPZHOMMNFGGS-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50054707   
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))
BDBM50054707
PNG
(CHEMBL344994 | Pyridine-2-carboxylic acid [4-(4-be...)
Show SMILES O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1ccccn1
Show InChI InChI=1S/C21H25N5OS/c27-21(18-8-3-4-10-22-18)23-11-5-6-12-25-13-15-26(16-14-25)20-17-7-1-2-9-19(17)28-24-20/h1-4,7-10H,5-6,11-16H2,(H,23,27)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.80n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against serotonin 5-hydroxytryptamine 1A receptor from mice.


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Mus musculus (Mouse))
BDBM50054707
PNG
(CHEMBL344994 | Pyridine-2-carboxylic acid [4-(4-be...)
Show SMILES O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1ccccn1
Show InChI InChI=1S/C21H25N5OS/c27-21(18-8-3-4-10-22-18)23-11-5-6-12-25-13-15-26(16-14-25)20-17-7-1-2-9-19(17)28-24-20/h1-4,7-10H,5-6,11-16H2,(H,23,27)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 24n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse Dopamine receptor D2


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair