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Compile Data Set for Download or QSAR

Found 16 hits from Avincuro Pharmaceuticals, Inc.   
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 6 (5-HT6)


(Homo sapiens (human))
BDBM50340726
PNG
(5,7-dimethyl-2-(methylthio)-3-(phenylsulfonyl)pyra...)
Show SMILES CSc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H15N3O2S2/c1-10-9-11(2)18-14(16-10)13(15(17-18)21-3)22(19,20)12-7-5-4-6-8-12/h4-9H,1-3H3
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2.14n/a 4.61n/an/an/an/an/an/a



Avincuro Pharmaceuticals, Inc.

US Patent


Assay Description
Radioligand binding assay using 5-HT6 receptors.


US Patent US8552005 (2013)


BindingDB Entry DOI: 10.7270/Q2MG7N4B
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50340727
PNG
(2,5,7-Triimethyl-phenylsulfonyl-pyrazolo[1,5-a]pyr...)
Show SMILES Cc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H15N3O2S/c1-10-9-11(2)18-15(16-10)14(12(3)17-18)21(19,20)13-7-5-4-6-8-13/h4-9H,1-3H3
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68.4n/a 147n/an/an/an/an/an/a



Avincuro Pharmaceuticals, Inc.

US Patent


Assay Description
Radioligand binding assay using 5-HT6 receptors.


US Patent US8552005 (2013)


BindingDB Entry DOI: 10.7270/Q2MG7N4B
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50340728
PNG
(2-{[5,7-Dimethyl-3-(phenylsulfonyl)pyrazolo[1,5-a]...)
Show SMILES Cc1cc(C)n2nc(OCCO)c(c2n1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H17N3O4S/c1-11-10-12(2)19-15(17-11)14(16(18-19)23-9-8-20)24(21,22)13-6-4-3-5-7-13/h3-7,10,20H,8-9H2,1-2H3
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222n/a 477n/an/an/an/an/an/a



Avincuro Pharmaceuticals, Inc.

US Patent


Assay Description
Radioligand binding assay using 5-HT6 receptors.


US Patent US8552005 (2013)


BindingDB Entry DOI: 10.7270/Q2MG7N4B
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50340729
PNG
(5,7-Dimethyl-3-phenylsulfonyl-pyrazolo[1,5-a]pyrim...)
Show SMILES Cc1cc(C)n2ncc(c2n1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C14H13N3O2S/c1-10-8-11(2)17-14(16-10)13(9-15-17)20(18,19)12-6-4-3-5-7-12/h3-9H,1-2H3
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237n/a 510n/an/an/an/an/an/a



Avincuro Pharmaceuticals, Inc.

US Patent


Assay Description
Radioligand binding assay using 5-HT6 receptors.


US Patent US8552005 (2013)


BindingDB Entry DOI: 10.7270/Q2MG7N4B
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50417908
PNG
(CHEMBL1668574 | US8552005, 1.1(7))
Show SMILES CSc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C15H14FN3O2S2/c1-9-8-10(2)19-14(17-9)13(15(18-19)22-3)23(20,21)12-6-4-11(16)5-7-12/h4-8H,1-3H3
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n/an/a<10n/an/an/an/an/an/a



Avincuro Pharmaceuticals, Inc.

US Patent


Assay Description
Radioligand binding assay using 5-HT6 receptors.


US Patent US8552005 (2013)


BindingDB Entry DOI: 10.7270/Q2MG7N4B
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50417906
PNG
(CHEMBL1668571 | US8552005, 1.1(11))
Show SMILES CSc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C15H14ClN3O2S2/c1-9-7-10(2)19-14(17-9)13(15(18-19)22-3)23(20,21)12-6-4-5-11(16)8-12/h4-8H,1-3H3
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n/an/a 20n/an/an/an/an/an/a



Avincuro Pharmaceuticals, Inc.

US Patent


Assay Description
Functional assay using 5-HT6 receptors.


US Patent US8552005 (2013)


BindingDB Entry DOI: 10.7270/Q2MG7N4B
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50417907
PNG
(CHEMBL1668572 | US8552005, 1.1(9))
Show SMILES CSc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C15H14FN3O2S2/c1-9-7-10(2)19-14(17-9)13(15(18-19)22-3)23(20,21)12-6-4-5-11(16)8-12/h4-8H,1-3H3
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n/an/a 25n/an/an/an/an/an/a



Avincuro Pharmaceuticals, Inc.

US Patent


Assay Description
Functional assay using 5-HT6 receptors.


US Patent US8552005 (2013)


BindingDB Entry DOI: 10.7270/Q2MG7N4B
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50340726
PNG
(5,7-dimethyl-2-(methylthio)-3-(phenylsulfonyl)pyra...)
Show SMILES CSc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H15N3O2S2/c1-10-9-11(2)18-14(16-10)13(15(17-18)21-3)22(19,20)12-7-5-4-6-8-12/h4-9H,1-3H3
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n/an/a 30n/an/an/an/an/an/a



Avincuro Pharmaceuticals, Inc.

US Patent


Assay Description
Functional assay using 5-HT6 receptors.


US Patent US8552005 (2013)


BindingDB Entry DOI: 10.7270/Q2MG7N4B
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50417912
PNG
(CHEMBL1668580 | US8552005, 1.1(20))
Show SMILES CSc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C15H13ClFN3O2S2/c1-8-6-9(2)20-14(18-8)13(15(19-20)23-3)24(21,22)10-4-5-12(17)11(16)7-10/h4-7H,1-3H3
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n/an/a 46n/an/an/an/an/an/a



Avincuro Pharmaceuticals, Inc.

US Patent


Assay Description
Functional assay using 5-HT6 receptors.


US Patent US8552005 (2013)


BindingDB Entry DOI: 10.7270/Q2MG7N4B
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50340730
PNG
(5,7-Dimethyl-2-(ethylthio)-3-phenylsulfonyl-pyrazo...)
Show SMILES CCSc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H17N3O2S2/c1-4-22-16-14(23(20,21)13-8-6-5-7-9-13)15-17-11(2)10-12(3)19(15)18-16/h5-10H,4H2,1-3H3
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n/an/a 50n/an/an/an/an/an/a



Avincuro Pharmaceuticals, Inc.

US Patent


Assay Description
Functional assay using 5-HT6 receptors.


US Patent US8552005 (2013)


BindingDB Entry DOI: 10.7270/Q2MG7N4B
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM103508
PNG
(US8552005, 1.1(15))
Show SMILES CCSc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C17H19N3O2S2/c1-5-23-17-15(16-18-12(3)10-13(4)20(16)19-17)24(21,22)14-8-6-11(2)7-9-14/h6-10H,5H2,1-4H3
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n/an/a 80n/an/an/an/an/an/a



Avincuro Pharmaceuticals, Inc.

US Patent


Assay Description
Functional assay using 5-HT6 receptors.


US Patent US8552005 (2013)


BindingDB Entry DOI: 10.7270/Q2MG7N4B
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50417908
PNG
(CHEMBL1668574 | US8552005, 1.1(7))
Show SMILES CSc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C15H14FN3O2S2/c1-9-8-10(2)19-14(17-9)13(15(18-19)22-3)23(20,21)12-6-4-11(16)5-7-12/h4-8H,1-3H3
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n/an/a 112n/an/an/an/an/an/a



Avincuro Pharmaceuticals, Inc.

US Patent


Assay Description
Functional assay using 5-HT6 receptors.


US Patent US8552005 (2013)


BindingDB Entry DOI: 10.7270/Q2MG7N4B
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50417928
PNG
(CHEMBL1668573 | US8552005, 1.1(16))
Show SMILES CSc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H14ClN3O2S2/c1-9-8-10(2)19-14(17-9)13(15(18-19)22-3)23(20,21)12-6-4-11(16)5-7-12/h4-8H,1-3H3
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n/an/a 230n/an/an/an/an/an/a



Avincuro Pharmaceuticals, Inc.

US Patent


Assay Description
Functional assay using 5-HT6 receptors.


US Patent US8552005 (2013)


BindingDB Entry DOI: 10.7270/Q2MG7N4B
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM103509
PNG
(US8552005, 1.1(18))
Show SMILES CCSc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C17H19N3O3S2/c1-5-24-17-15(16-18-11(2)10-12(3)20(16)19-17)25(21,22)14-8-6-13(23-4)7-9-14/h6-10H,5H2,1-4H3
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n/an/a 320n/an/an/an/an/an/a



Avincuro Pharmaceuticals, Inc.

US Patent


Assay Description
Functional assay using 5-HT6 receptors.


US Patent US8552005 (2013)


BindingDB Entry DOI: 10.7270/Q2MG7N4B
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50417910
PNG
(CHEMBL1668577 | US8552005, 1.1(17))
Show SMILES COc1ccc(cc1)S(=O)(=O)c1c(SC)nn2c(C)cc(C)nc12
Show InChI InChI=1S/C16H17N3O3S2/c1-10-9-11(2)19-15(17-10)14(16(18-19)23-4)24(20,21)13-7-5-12(22-3)6-8-13/h5-9H,1-4H3
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n/an/a 440n/an/an/an/an/an/a



Avincuro Pharmaceuticals, Inc.

US Patent


Assay Description
Functional assay using 5-HT6 receptors.


US Patent US8552005 (2013)


BindingDB Entry DOI: 10.7270/Q2MG7N4B
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50340729
PNG
(5,7-Dimethyl-3-phenylsulfonyl-pyrazolo[1,5-a]pyrim...)
Show SMILES Cc1cc(C)n2ncc(c2n1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C14H13N3O2S/c1-10-8-11(2)17-14(16-10)13(9-15-17)20(18,19)12-6-4-3-5-7-12/h3-9H,1-2H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Avincuro Pharmaceuticals, Inc.

US Patent


Assay Description
Functional assay using 5-HT6 receptors.


US Patent US8552005 (2013)


BindingDB Entry DOI: 10.7270/Q2MG7N4B
More data for this
Ligand-Target Pair