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Compile Data Set for Download or QSAR

Found 13 hits with Last Name = 'achanta' and Initial = 'pk'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM234385
PNG
(2-Methoxy-10-(2-N,N-Dimethylaminoethoxy)-5-Thia-4b...)
Show SMILES COc1ccc2n3c(-c4ccccc4S3(=O)=O)c(OCCN(C)C)c2c1
Show InChI InChI=1S/C19H20N2O4S/c1-20(2)10-11-25-19-15-12-13(24-3)8-9-16(15)21-18(19)14-6-4-5-7-17(14)26(21,22)23/h4-9,12H,10-11H2,1-3H3
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127 -40.9n/an/an/an/an/a7.437



Suven Life Sciences Ltd



Assay Description
Briefly, receptor source and radioligand used were human recombinant expressed in HEK-293 cells and [3H] LSD (60–80 Ci/mmol), respectively. The ...


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 6 (5-HT6)


(Homo sapiens (human))
BDBM234384
PNG
(2-Chloro-10-(2-N,N-Dimethylaminoethoxy)-5-Thia-4-b...)
Show SMILES CN(C)CCOc1c2-c3ccccc3S(=O)(=O)n2c2ccc(Cl)cc12
Show InChI InChI=1S/C18H17ClN2O3S/c1-20(2)9-10-24-18-14-11-12(19)7-8-15(14)21-17(18)13-5-3-4-6-16(13)25(21,22)23/h3-8,11H,9-10H2,1-2H3
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464 -37.6n/an/an/an/an/a7.437



Suven Life Sciences Ltd



Assay Description
Briefly, receptor source and radioligand used were human recombinant expressed in HEK-293 cells and [3H] LSD (60–80 Ci/mmol), respectively. The ...


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 6 (5-HT6)


(Homo sapiens (human))
BDBM234386
PNG
(1-Fluoro-10-(2-N,N-Dimethylaminoethoxy)-5-Thia-4-b...)
Show SMILES CN(C)CCOc1c2-c3ccccc3S(=O)(=O)n2c2cccc(F)c12
Show InChI InChI=1S/C18H17FN2O3S/c1-20(2)10-11-24-18-16-13(19)7-5-8-14(16)21-17(18)12-6-3-4-9-15(12)25(21,22)23/h3-9H,10-11H2,1-2H3
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>500>-37.4n/an/an/an/an/a7.437



Suven Life Sciences Ltd



Assay Description
Briefly, receptor source and radioligand used were human recombinant expressed in HEK-293 cells and [3H] LSD (60–80 Ci/mmol), respectively. The ...


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
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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
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
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UniChem
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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))
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
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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
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
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UniChem
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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
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
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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
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
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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
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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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
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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

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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 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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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