new BindingDB logo
myBDB logout

BDBM50003065 CHEMBL3234522

SMILES: CN1c2cc(ccc2[S+]([O-])c2ccccc2C1=O)C(=O)NCCc1cccs1

InChI Key: InChIKey=YXLLQNMKIDBOGH-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50003065   
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))
BDBM50003065
PNG
(CHEMBL3234522)
Show SMILES CN1c2cc(ccc2[S+]([O-])c2ccccc2C1=O)C(=O)NCCc1cccs1
Show InChI InChI=1S/C21H18N2O3S2/c1-23-17-13-14(20(24)22-11-10-15-5-4-12-27-15)8-9-19(17)28(26)18-7-3-2-6-16(18)21(23)25/h2-9,12-13H,10-11H2,1H3,(H,22,24)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
190n/an/an/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]methylspiperone from human D2L receptor expressed in HEK cell membrane after 90 mins by scintillation counting analysis


J Med Chem 57: 3450-63 (2014)


Article DOI: 10.1021/jm500126s
BindingDB Entry DOI: 10.7270/Q2MW2JN2
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50003065
PNG
(CHEMBL3234522)
Show SMILES CN1c2cc(ccc2[S+]([O-])c2ccccc2C1=O)C(=O)NCCc1cccs1
Show InChI InChI=1S/C21H18N2O3S2/c1-23-17-13-14(20(24)22-11-10-15-5-4-12-27-15)8-9-19(17)28(26)18-7-3-2-6-16(18)21(23)25/h2-9,12-13H,10-11H2,1H3,(H,22,24)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
9.20E+3n/an/an/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]methylspiperone from human D3 receptor expressed in HEK293 cell membrane after 90 mins by scintillation counting analysis


J Med Chem 57: 3450-63 (2014)


Article DOI: 10.1021/jm500126s
BindingDB Entry DOI: 10.7270/Q2MW2JN2
More data for this
Ligand-Target Pair