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BDBM234388 3-Chloro-10-(2-N,N-Dimethylaminoethoxy)-5-Thia-4-b-azaindeno (8b)

SMILES: CN(C)CCOc1c2-c3ccccc3S(=O)(=O)n2c2cc(Cl)ccc12

InChI Key: InChIKey=NNAVGOSFYFQPCW-UHFFFAOYSA-N

Data: 5 IC50

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 5 hits for monomerid = 234388   
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM234388
PNG
(3-Chloro-10-(2-N,N-Dimethylaminoethoxy)-5-Thia-4-b...)
Show SMILES CN(C)CCOc1c2-c3ccccc3S(=O)(=O)n2c2cc(Cl)ccc12
Show InChI InChI=1S/C18H17ClN2O3S/c1-20(2)9-10-24-18-13-8-7-12(19)11-15(13)21-17(18)14-5-3-4-6-16(14)25(21,22)23/h3-8,11H,9-10H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Suven Life Sciences Ltd



Assay Description
CHO cells were transfected with an expression vector encoding rat 5-HT7 gene and CRE-Luc reporter system. Colonies were isolated and screened with 10...


J Enzyme Inhib Med Chem 26: 341-9 (2011)


Article DOI: 10.3109/14756366.2010.510471
BindingDB Entry DOI: 10.7270/Q2WW7GHT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM234388
PNG
(3-Chloro-10-(2-N,N-Dimethylaminoethoxy)-5-Thia-4-b...)
Show SMILES CN(C)CCOc1c2-c3ccccc3S(=O)(=O)n2c2cc(Cl)ccc12
Show InChI InChI=1S/C18H17ClN2O3S/c1-20(2)9-10-24-18-13-8-7-12(19)11-15(13)21-17(18)14-5-3-4-6-16(14)25(21,22)23/h3-8,11H,9-10H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Suven Life Sciences Ltd



Assay Description
Recombinant CHO cells were established by transfecting an expression vector encoding human 5-HT4a gene and CRE-Luc reporter system. Isolated colonies...


J Enzyme Inhib Med Chem 26: 341-9 (2011)


Article DOI: 10.3109/14756366.2010.510471
BindingDB Entry DOI: 10.7270/Q2WW7GHT
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM234388
PNG
(3-Chloro-10-(2-N,N-Dimethylaminoethoxy)-5-Thia-4-b...)
Show SMILES CN(C)CCOc1c2-c3ccccc3S(=O)(=O)n2c2cc(Cl)ccc12
Show InChI InChI=1S/C18H17ClN2O3S/c1-20(2)9-10-24-18-13-8-7-12(19)11-15(13)21-17(18)14-5-3-4-6-16(14)25(21,22)23/h3-8,11H,9-10H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.71E+4n/an/an/an/an/an/a



Suven Life Sciences Ltd



Assay Description
The cytochrome P450 inhibitory potential was determined using isoform-selective assays and heterologously expressed human CYP2D6 and CYP3A4.


J Enzyme Inhib Med Chem 26: 341-9 (2011)


Article DOI: 10.3109/14756366.2010.510471
BindingDB Entry DOI: 10.7270/Q2WW7GHT
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM234388
PNG
(3-Chloro-10-(2-N,N-Dimethylaminoethoxy)-5-Thia-4-b...)
Show SMILES CN(C)CCOc1c2-c3ccccc3S(=O)(=O)n2c2cc(Cl)ccc12
Show InChI InChI=1S/C18H17ClN2O3S/c1-20(2)9-10-24-18-13-8-7-12(19)11-15(13)21-17(18)14-5-3-4-6-16(14)25(21,22)23/h3-8,11H,9-10H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.06E+3n/an/an/an/an/an/a



Suven Life Sciences Ltd



Assay Description
The cytochrome P450 inhibitory potential was determined using isoform-selective assays and heterologously expressed human CYP2D6 and CYP3A4.


J Enzyme Inhib Med Chem 26: 341-9 (2011)


Article DOI: 10.3109/14756366.2010.510471
BindingDB Entry DOI: 10.7270/Q2WW7GHT
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM234388
PNG
(3-Chloro-10-(2-N,N-Dimethylaminoethoxy)-5-Thia-4-b...)
Show SMILES CN(C)CCOc1c2-c3ccccc3S(=O)(=O)n2c2cc(Cl)ccc12
Show InChI InChI=1S/C18H17ClN2O3S/c1-20(2)9-10-24-18-13-8-7-12(19)11-15(13)21-17(18)14-5-3-4-6-16(14)25(21,22)23/h3-8,11H,9-10H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Suven Life Sciences Ltd



Assay Description
Muscarinic acetylcholine receptor M1 was cloned into an expression vector and transfected in CHO cells along with CRE-Luc reporter system. Isolated c...


J Enzyme Inhib Med Chem 26: 341-9 (2011)


Article DOI: 10.3109/14756366.2010.510471
BindingDB Entry DOI: 10.7270/Q2WW7GHT
More data for this
Ligand-Target Pair