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SMILES: CS(=O)(=O)c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1

InChI Key: InChIKey=WWUPTACXJJHODT-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50002003   
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 2A/2B/2C


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50002003
PNG
(1-(2-{4-[1-(4-Fluoro-phenyl)-5-methanesulfonyl-1H-...)
Show SMILES CS(=O)(=O)c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H29FN4O3S/c1-34(32,33)21-6-7-24-22(16-21)23(17-30(24)20-4-2-19(26)3-5-20)18-8-11-28(12-9-18)14-15-29-13-10-27-25(29)31/h2-7,16-18H,8-15H2,1H3,(H,27,31)
PDB

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 8n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]ketanserin binding to rat 5-hydroxytryptamine 2 receptors.


J Med Chem 35: 1092-101 (1992)


BindingDB Entry DOI: 10.7270/Q2Z89BB3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50002003
PNG
(1-(2-{4-[1-(4-Fluoro-phenyl)-5-methanesulfonyl-1H-...)
Show SMILES CS(=O)(=O)c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H29FN4O3S/c1-34(32,33)21-6-7-24-22(16-21)23(17-30(24)20-4-2-19(26)3-5-20)18-8-11-28(12-9-18)14-15-29-13-10-27-25(29)31/h2-7,16-18H,8-15H2,1H3,(H,27,31)
PDB

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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 5.80n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Tested for the inhibition of [3H]-spiperone binding to dopamine D2 receptor


J Med Chem 35: 1092-101 (1992)


BindingDB Entry DOI: 10.7270/Q2Z89BB3
More data for this
Ligand-Target Pair