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BDBM50115272 4-(2-Thiophen-2-yl-ethyl)-3,4,4a,5,6,10b-hexahydro-2H-naphtho[1,2-b][1,4]oxazin-9-ol::CHEMBL102414

SMILES: Oc1ccc2CCC3C(OCCN3CCc3cccs3)c2c1

InChI Key: InChIKey=XOLIIHROSJWMQH-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 = 50115272   
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))
BDBM50115272
PNG
(4-(2-Thiophen-2-yl-ethyl)-3,4,4a,5,6,10b-hexahydro...)
Show SMILES Oc1ccc2CCC3C(OCCN3CCc3cccs3)c2c1
Show InChI InChI=1S/C18H21NO2S/c20-14-5-3-13-4-6-17-18(16(13)12-14)21-10-9-19(17)8-7-15-2-1-11-22-15/h1-3,5,11-12,17-18,20H,4,6-10H2
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
83n/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))
BDBM50115272
PNG
(4-(2-Thiophen-2-yl-ethyl)-3,4,4a,5,6,10b-hexahydro...)
Show SMILES Oc1ccc2CCC3C(OCCN3CCc3cccs3)c2c1
Show InChI InChI=1S/C18H21NO2S/c20-14-5-3-13-4-6-17-18(16(13)12-14)21-10-9-19(17)8-7-15-2-1-11-22-15/h1-3,5,11-12,17-18,20H,4,6-10H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
3.68E+3n/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