BindingDB logo
myBDB logout

null

SMILES: COc1cc2CCN(Cc2cc1OC)\C=N\c1ccc2CCC3SCCSC3c2c1

InChI Key: InChIKey=DDGNZGCNNSGECT-MFKUBSTISA-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 3 hits for monomerid = 50206184   
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
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50206184
PNG
((E)-N-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)...)
Show SMILES COc1cc2CCN(Cc2cc1OC)\C=N\c1ccc2CCC3SCCSC3c2c1 |w:22.23,27.28|
Show InChI InChI=1S/C24H28N2O2S2/c1-27-21-11-17-7-8-26(14-18(17)12-22(21)28-2)15-25-19-5-3-16-4-6-23-24(20(16)13-19)30-10-9-29-23/h3,5,11-13,15,23-24H,4,6-10,14H2,1-2H3/b25-15+
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
300n/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
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50206184
PNG
((E)-N-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)...)
Show SMILES COc1cc2CCN(Cc2cc1OC)\C=N\c1ccc2CCC3SCCSC3c2c1 |w:22.23,27.28|
Show InChI InChI=1S/C24H28N2O2S2/c1-27-21-11-17-7-8-26(14-18(17)12-22(21)28-2)15-25-19-5-3-16-4-6-23-24(20(16)13-19)30-10-9-29-23/h3,5,11-13,15,23-24H,4,6-10,14H2,1-2H3/b25-15+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
700n/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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50206184
PNG
((E)-N-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)...)
Show SMILES COc1cc2CCN(Cc2cc1OC)\C=N\c1ccc2CCC3SCCSC3c2c1 |w:22.23,27.28|
Show InChI InChI=1S/C24H28N2O2S2/c1-27-21-11-17-7-8-26(14-18(17)12-22(21)28-2)15-25-19-5-3-16-4-6-23-24(20(16)13-19)30-10-9-29-23/h3,5,11-13,15,23-24H,4,6-10,14H2,1-2H3/b25-15+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+5n/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