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BDBM234387 10-(2-N,N-Dimethylaminoethoxy)-5-Thia-4-b-azaindeno[2,1-a]indene-5,5-Dioxide (8a)

SMILES: CN(C)CCOc1c2-c3ccccc3S(=O)(=O)n2c2ccccc12

InChI Key: InChIKey=PWFDILKXFQTPQW-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 = 234387   
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))
BDBM234387
PNG
(10-(2-N,N-Dimethylaminoethoxy)-5-Thia-4-b-azainden...)
Show SMILES CN(C)CCOc1c2-c3ccccc3S(=O)(=O)n2c2ccccc12
Show InChI InChI=1S/C18H18N2O3S/c1-19(2)11-12-23-18-13-7-3-5-9-15(13)20-17(18)14-8-4-6-10-16(14)24(20,21)22/h3-10H,11-12H2,1-2H3
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KEGG

UniProtKB/SwissProt

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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))
BDBM234387
PNG
(10-(2-N,N-Dimethylaminoethoxy)-5-Thia-4-b-azainden...)
Show SMILES CN(C)CCOc1c2-c3ccccc3S(=O)(=O)n2c2ccccc12
Show InChI InChI=1S/C18H18N2O3S/c1-19(2)11-12-23-18-13-7-3-5-9-15(13)20-17(18)14-8-4-6-10-16(14)24(20,21)22/h3-10H,11-12H2,1-2H3
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))
BDBM234387
PNG
(10-(2-N,N-Dimethylaminoethoxy)-5-Thia-4-b-azainden...)
Show SMILES CN(C)CCOc1c2-c3ccccc3S(=O)(=O)n2c2ccccc12
Show InChI InChI=1S/C18H18N2O3S/c1-19(2)11-12-23-18-13-7-3-5-9-15(13)20-17(18)14-8-4-6-10-16(14)24(20,21)22/h3-10H,11-12H2,1-2H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
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GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>4.50E+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))
BDBM234387
PNG
(10-(2-N,N-Dimethylaminoethoxy)-5-Thia-4-b-azainden...)
Show SMILES CN(C)CCOc1c2-c3ccccc3S(=O)(=O)n2c2ccccc12
Show InChI InChI=1S/C18H18N2O3S/c1-19(2)11-12-23-18-13-7-3-5-9-15(13)20-17(18)14-8-4-6-10-16(14)24(20,21)22/h3-10H,11-12H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.65E+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))
BDBM234387
PNG
(10-(2-N,N-Dimethylaminoethoxy)-5-Thia-4-b-azainden...)
Show SMILES CN(C)CCOc1c2-c3ccccc3S(=O)(=O)n2c2ccccc12
Show InChI InChI=1S/C18H18N2O3S/c1-19(2)11-12-23-18-13-7-3-5-9-15(13)20-17(18)14-8-4-6-10-16(14)24(20,21)22/h3-10H,11-12H2,1-2H3
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