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SMILES: CCCCSC1=CCc2ccc(cc12)\N=C\N1CCc2cc(OC)c(OC)cc2C1

InChI Key: InChIKey=KOZRBQCYGNKIJD-YZSQISJMSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50206181   
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))
BDBM50206181
PNG
((E)-3-(butylthio)-N-((6,7-dimethoxy-3,4-dihydroiso...)
Show SMILES CCCCSC1=CCc2ccc(cc12)\N=C\N1CCc2cc(OC)c(OC)cc2C1 |t:5|
Show InChI InChI=1S/C25H30N2O2S/c1-4-5-12-30-25-9-7-18-6-8-21(15-22(18)25)26-17-27-11-10-19-13-23(28-2)24(29-3)14-20(19)16-27/h6,8-9,13-15,17H,4-5,7,10-12,16H2,1-3H3/b26-17+
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PC sid
UniChem
Article
PubMed
8.20E+3n/an/an/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor


Bioorg Med Chem Lett 17: 2649-55 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.093
BindingDB Entry DOI: 10.7270/Q2WQ03F0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50206181
PNG
((E)-3-(butylthio)-N-((6,7-dimethoxy-3,4-dihydroiso...)
Show SMILES CCCCSC1=CCc2ccc(cc12)\N=C\N1CCc2cc(OC)c(OC)cc2C1 |t:5|
Show InChI InChI=1S/C25H30N2O2S/c1-4-5-12-30-25-9-7-18-6-8-21(15-22(18)25)26-17-27-11-10-19-13-23(28-2)24(29-3)14-20(19)16-27/h6,8-9,13-15,17H,4-5,7,10-12,16H2,1-3H3/b26-17+
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1.10E+4n/an/an/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M4 receptor


Bioorg Med Chem Lett 17: 2649-55 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.093
BindingDB Entry DOI: 10.7270/Q2WQ03F0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50206181
PNG
((E)-3-(butylthio)-N-((6,7-dimethoxy-3,4-dihydroiso...)
Show SMILES CCCCSC1=CCc2ccc(cc12)\N=C\N1CCc2cc(OC)c(OC)cc2C1 |t:5|
Show InChI InChI=1S/C25H30N2O2S/c1-4-5-12-30-25-9-7-18-6-8-21(15-22(18)25)26-17-27-11-10-19-13-23(28-2)24(29-3)14-20(19)16-27/h6,8-9,13-15,17H,4-5,7,10-12,16H2,1-3H3/b26-17+
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>3.00E+5n/an/an/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2649-55 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.093
BindingDB Entry DOI: 10.7270/Q2WQ03F0
More data for this
Ligand-Target Pair