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BDBM50115281 6-Propyl-4,5a,6,7,8,9a-hexahydro-5H-9-oxa-3-thia-6-aza-cyclopenta[a]naphthalene::CHEMBL102632

SMILES: CCCN1CCOC2C1CCc1sccc21

InChI Key: InChIKey=GRHVCLHQXSTVGR-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 = 50115281   
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


(Homo sapiens (Human))
BDBM50115281
PNG
(6-Propyl-4,5a,6,7,8,9a-hexahydro-5H-9-oxa-3-thia-6...)
Show SMILES CCCN1CCOC2C1CCc1sccc21
Show InChI InChI=1S/C13H19NOS/c1-2-6-14-7-8-15-13-10-5-9-16-12(10)4-3-11(13)14/h5,9,11,13H,2-4,6-8H2,1H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
240n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
In vitro binding affinity at human Dopamine receptor D3 expressed in CHO K1 cells was measured by its ability to displace [3H]spiperone


J Med Chem 45: 3022-31 (2002)


BindingDB Entry DOI: 10.7270/Q2QC047Q
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50115281
PNG
(6-Propyl-4,5a,6,7,8,9a-hexahydro-5H-9-oxa-3-thia-6...)
Show SMILES CCCN1CCOC2C1CCc1sccc21
Show InChI InChI=1S/C13H19NOS/c1-2-6-14-7-8-15-13-10-5-9-16-12(10)4-3-11(13)14/h5,9,11,13H,2-4,6-8H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
630n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
In vitro binding affinity at human Dopamine receptor D2 expressed in CHO K1 cells was measured by its ability to displace [3H]- N-0437


J Med Chem 45: 3022-31 (2002)


BindingDB Entry DOI: 10.7270/Q2QC047Q
More data for this
Ligand-Target Pair