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SMILES: CCCN(CCCc1ccc(O)c(OC)c1)C1CCc2nc(N)sc2C1

InChI Key: InChIKey=GKJWEBNCPUIVRF-UHFFFAOYSA-N

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 = 50533794   
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(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50533794
PNG
(CHEMBL4549004)
Show SMILES CCCN(CCCc1ccc(O)c(OC)c1)C1CCc2nc(N)sc2C1
Show InChI InChI=1S/C20H29N3O2S/c1-3-10-23(15-7-8-16-19(13-15)26-20(21)22-16)11-4-5-14-6-9-17(24)18(12-14)25-2/h6,9,12,15,24H,3-5,7-8,10-11,13H2,1-2H3,(H2,21,22)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
16n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat D3 dopamine receptor expressed in HEK293 cell membranes after 1 hr


Bioorg Med Chem 24: 5088-5102 (2016)


Article DOI: 10.1016/j.bmc.2016.08.021
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50533794
PNG
(CHEMBL4549004)
Show SMILES CCCN(CCCc1ccc(O)c(OC)c1)C1CCc2nc(N)sc2C1
Show InChI InChI=1S/C20H29N3O2S/c1-3-10-23(15-7-8-16-19(13-15)26-20(21)22-16)11-4-5-14-6-9-17(24)18(12-14)25-2/h6,9,12,15,24H,3-5,7-8,10-11,13H2,1-2H3,(H2,21,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.40E+3n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat D2L dopamine receptor expressed in HEK293 cell membranes after 1 hr


Bioorg Med Chem 24: 5088-5102 (2016)


Article DOI: 10.1016/j.bmc.2016.08.021
More data for this
Ligand-Target Pair