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Compile Data Set for Download or QSAR

Found 50 hits with Last Name = 'adamczyk' and Initial = 'j'   
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))
BDBM50166849
PNG
(CHEMBL3797651)
Show SMILES COc1ccc(cc1)-c1cc(nc2n(ccc12)S(=O)(=O)CC(C)C)N1CCN(C)CC1
Show InChI InChI=1S/C23H30N4O3S/c1-17(2)16-31(28,29)27-10-9-20-21(18-5-7-19(30-4)8-6-18)15-22(24-23(20)27)26-13-11-25(3)12-14-26/h5-10,15,17H,11-14,16H2,1-4H3
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2n/an/an/an/an/an/an/an/a



Selvita S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method


Bioorg Med Chem Lett 26: 2610-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50166863
PNG
(CHEMBL3799529)
Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCNCC1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H19NO5/c1-13-4-5-17(10-14(13)2)19(24)12-28-22(27)16-6-8-18(9-7-16)23-20(25)11-15(3)21(23)26/h4-11H,12H2,1-3H3
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3n/an/an/an/an/an/an/an/a



Selvita S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method


Bioorg Med Chem Lett 26: 2610-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50166852
PNG
(CHEMBL3797717)
Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H27F3N4O2S/c1-16(2)15-33(31,32)30-9-8-19-20(17-4-6-18(7-5-17)23(24,25)26)14-21(27-22(19)30)29-12-10-28(3)11-13-29/h4-9,14,16H,10-13,15H2,1-3H3
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4n/an/an/an/an/an/an/an/a



Selvita S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method


Bioorg Med Chem Lett 26: 2610-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50166844
PNG
(CHEMBL3798478)
Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C24H29N5O2S/c1-17(2)16-32(30,31)29-9-7-20-21(18-4-5-22-19(14-18)6-8-25-22)15-23(26-24(20)29)28-12-10-27(3)11-13-28/h4-9,14-15,17,25H,10-13,16H2,1-3H3
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5n/an/an/an/an/an/an/an/a



Selvita S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method


Bioorg Med Chem Lett 26: 2610-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50166859
PNG
(CHEMBL3799120)
Show SMILES CC(C)S(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H25F3N4O2S/c1-15(2)32(30,31)29-9-8-18-19(16-4-6-17(7-5-16)22(23,24)25)14-20(26-21(18)29)28-12-10-27(3)11-13-28/h4-9,14-15H,10-13H2,1-3H3
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6n/an/an/an/an/an/an/an/a



Selvita S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method


Bioorg Med Chem Lett 26: 2610-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50166846
PNG
(CHEMBL3797435)
Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C23H27N5O2S/c1-17(2)16-31(29,30)28-9-8-20-21(19-6-4-18(15-24)5-7-19)14-22(25-23(20)28)27-12-10-26(3)11-13-27/h4-9,14,17H,10-13,16H2,1-3H3
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7n/an/an/an/an/an/an/an/a



Selvita S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method


Bioorg Med Chem Lett 26: 2610-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50166861
PNG
(CHEMBL3799448)
Show SMILES CN1CCN(CC1)c1cc(-c2ccc(cc2)C(F)(F)F)c2ccn(c2n1)S(=O)(=O)C1CCOCC1
Show InChI InChI=1S/C26H23NO5/c1-14-3-4-17(11-15(14)2)21(28)13-32-26(31)16-7-9-20(10-8-16)27-24(29)22-18-5-6-19(12-18)23(22)25(27)30/h3-11,18-19,29-30H,12-13H2,1-2H3
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7n/an/an/an/an/an/an/an/a



Selvita S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method


Bioorg Med Chem Lett 26: 2610-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50166862
PNG
(CHEMBL3798490)
Show SMILES COCCS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H21NO5/c1-13-4-5-17(10-14(13)2)19(24)12-28-22(27)16-6-8-18(9-7-16)23-20(25)11-15(3)21(23)26/h4-11,25-26H,12H2,1-3H3
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8n/an/an/an/an/an/an/an/a



Selvita S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method


Bioorg Med Chem Lett 26: 2610-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50166853
PNG
(CHEMBL3798953)
Show SMILES CCc1ccc(cc1)-c1cc(nc2n(ccc12)S(=O)(=O)CC(C)C)N1CCN(C)CC1
Show InChI InChI=1S/C24H32N4O2S/c1-5-19-6-8-20(9-7-19)22-16-23(27-14-12-26(4)13-15-27)25-24-21(22)10-11-28(24)31(29,30)17-18(2)3/h6-11,16,18H,5,12-15,17H2,1-4H3
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11n/an/an/an/an/an/an/an/a



Selvita S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method


Bioorg Med Chem Lett 26: 2610-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50166856
PNG
(CHEMBL3800251)
Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1cc(C)sc1C
Show InChI InChI=1S/C22H30N4O2S2/c1-15(2)14-30(27,28)26-7-6-18-20(19-12-16(3)29-17(19)4)13-21(23-22(18)26)25-10-8-24(5)9-11-25/h6-7,12-13,15H,8-11,14H2,1-5H3
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12n/an/an/an/an/an/an/an/a



Selvita S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method


Bioorg Med Chem Lett 26: 2610-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50166860
PNG
(CHEMBL3799330)
Show SMILES CN1CCN(CC1)c1cc(-c2ccc(cc2)C(F)(F)F)c2ccn(c2n1)S(=O)(=O)C1CCCCC1
Show InChI InChI=1S/C25H29F3N4O2S/c1-30-13-15-31(16-14-30)23-17-22(18-7-9-19(10-8-18)25(26,27)28)21-11-12-32(24(21)29-23)35(33,34)20-5-3-2-4-6-20/h7-12,17,20H,2-6,13-16H2,1H3
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15n/an/an/an/an/an/an/an/a



Selvita S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method


Bioorg Med Chem Lett 26: 2610-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50166854
PNG
(CHEMBL3799638)
Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccccc1
Show InChI InChI=1S/C22H28N4O2S/c1-17(2)16-29(27,28)26-10-9-19-20(18-7-5-4-6-8-18)15-21(23-22(19)26)25-13-11-24(3)12-14-25/h4-10,15,17H,11-14,16H2,1-3H3
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16n/an/an/an/an/an/an/an/a



Selvita S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method


Bioorg Med Chem Lett 26: 2610-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50166847
PNG
(CHEMBL3800539)
Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc(O)cc1
Show InChI InChI=1S/C22H28N4O3S/c1-16(2)15-30(28,29)26-9-8-19-20(17-4-6-18(27)7-5-17)14-21(23-22(19)26)25-12-10-24(3)11-13-25/h4-9,14,16,27H,10-13,15H2,1-3H3
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22n/an/an/an/an/an/an/an/a



Selvita S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method


Bioorg Med Chem Lett 26: 2610-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50166849
PNG
(CHEMBL3797651)
Show SMILES COc1ccc(cc1)-c1cc(nc2n(ccc12)S(=O)(=O)CC(C)C)N1CCN(C)CC1
Show InChI InChI=1S/C23H30N4O3S/c1-17(2)16-31(28,29)27-10-9-20-21(18-5-7-19(30-4)8-6-18)15-22(24-23(20)27)26-13-11-25(3)12-14-26/h5-10,15,17H,11-14,16H2,1-4H3
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22n/an/an/an/an/an/an/an/a



Selvita S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method


Bioorg Med Chem Lett 26: 2610-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50166850
PNG
(CHEMBL3799547)
Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C23H27F3N4O2S/c1-16(2)15-33(31,32)30-9-8-18-19(17-6-4-5-7-20(17)23(24,25)26)14-21(27-22(18)30)29-12-10-28(3)11-13-29/h4-9,14,16H,10-13,15H2,1-3H3
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24n/an/an/an/an/an/an/an/a



Selvita S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method


Bioorg Med Chem Lett 26: 2610-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50166859
PNG
(CHEMBL3799120)
Show SMILES CC(C)S(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H25F3N4O2S/c1-15(2)32(30,31)29-9-8-18-19(16-4-6-17(7-5-16)22(23,24)25)14-20(26-21(18)29)28-12-10-27(3)11-13-28/h4-9,14-15H,10-13H2,1-3H3
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25n/an/an/an/an/an/an/an/a



Selvita S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method


Bioorg Med Chem Lett 26: 2610-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50166843
PNG
(CHEMBL3797293)
Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1cccnc1
Show InChI InChI=1S/C21H27N5O2S/c1-16(2)15-29(27,28)26-8-6-18-19(17-5-4-7-22-14-17)13-20(23-21(18)26)25-11-9-24(3)10-12-25/h4-8,13-14,16H,9-12,15H2,1-3H3
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36n/an/an/an/an/an/an/an/a



Selvita S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method


Bioorg Med Chem Lett 26: 2610-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50166851
PNG
(CHEMBL3798840)
Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H27F3N4O2S/c1-16(2)15-33(31,32)30-8-7-19-20(17-5-4-6-18(13-17)23(24,25)26)14-21(27-22(19)30)29-11-9-28(3)10-12-29/h4-8,13-14,16H,9-12,15H2,1-3H3
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48n/an/an/an/an/an/an/an/a



Selvita S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method


Bioorg Med Chem Lett 26: 2610-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50166862
PNG
(CHEMBL3798490)
Show SMILES COCCS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H21NO5/c1-13-4-5-17(10-14(13)2)19(24)12-28-22(27)16-6-8-18(9-7-16)23-20(25)11-15(3)21(23)26/h4-11,25-26H,12H2,1-3H3
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52n/an/an/an/an/an/an/an/a



Selvita S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method


Bioorg Med Chem Lett 26: 2610-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50166858
PNG
(CHEMBL3800153)
Show SMILES CN1CCN(CC1)c1cc(-c2ccc(cc2)C(F)(F)F)c2ccn(c2n1)S(C)(=O)=O
Show InChI InChI=1S/C20H21F3N4O2S/c1-25-9-11-26(12-10-25)18-13-17(14-3-5-15(6-4-14)20(21,22)23)16-7-8-27(19(16)24-18)30(2,28)29/h3-8,13H,9-12H2,1-2H3
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54n/an/an/an/an/an/an/an/a



Selvita S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method


Bioorg Med Chem Lett 26: 2610-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50166848
PNG
(CHEMBL3800150)
Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C29H34N4O3S/c1-22(2)21-37(34,35)33-14-13-26-27(19-28(30-29(26)33)32-17-15-31(3)16-18-32)24-9-11-25(12-10-24)36-20-23-7-5-4-6-8-23/h4-14,19,22H,15-18,20-21H2,1-3H3
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86n/an/an/an/an/an/an/an/a



Selvita S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method


Bioorg Med Chem Lett 26: 2610-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50166855
PNG
(CHEMBL3800576)
Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1cnn(C)c1
Show InChI InChI=1S/C20H28N6O2S/c1-15(2)14-29(27,28)26-6-5-17-18(16-12-21-24(4)13-16)11-19(22-20(17)26)25-9-7-23(3)8-10-25/h5-6,11-13,15H,7-10,14H2,1-4H3
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87n/an/an/an/an/an/an/an/a



Selvita S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method


Bioorg Med Chem Lett 26: 2610-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50166847
PNG
(CHEMBL3800539)
Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc(O)cc1
Show InChI InChI=1S/C22H28N4O3S/c1-16(2)15-30(28,29)26-9-8-19-20(17-4-6-18(27)7-5-17)14-21(23-22(19)26)25-12-10-24(3)11-13-25/h4-9,14,16,27H,10-13,15H2,1-3H3
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108n/an/an/an/an/an/an/an/a



Selvita S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method


Bioorg Med Chem Lett 26: 2610-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50166850
PNG
(CHEMBL3799547)
Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C23H27F3N4O2S/c1-16(2)15-33(31,32)30-9-8-18-19(17-6-4-5-7-20(17)23(24,25)26)14-21(27-22(18)30)29-12-10-28(3)11-13-29/h4-9,14,16H,10-13,15H2,1-3H3
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113n/an/an/an/an/an/an/an/a



Selvita S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method


Bioorg Med Chem Lett 26: 2610-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50166857
PNG
(CHEMBL3800055)
Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1c(C)noc1C
Show InChI InChI=1S/C21H29N5O3S/c1-14(2)13-30(27,28)26-7-6-17-18(20-15(3)23-29-16(20)4)12-19(22-21(17)26)25-10-8-24(5)9-11-25/h6-7,12,14H,8-11,13H2,1-5H3
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129n/an/an/an/an/an/an/an/a



Selvita S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method


Bioorg Med Chem Lett 26: 2610-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50166846
PNG
(CHEMBL3797435)
Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C23H27N5O2S/c1-17(2)16-31(29,30)28-9-8-20-21(19-6-4-18(15-24)5-7-19)14-22(25-23(20)28)27-12-10-26(3)11-13-27/h4-9,14,17H,10-13,16H2,1-3H3
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205n/an/an/an/an/an/an/an/a



Selvita S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method


Bioorg Med Chem Lett 26: 2610-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50166842
PNG
(CHEMBL3800442)
Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc(=O)[nH]c1
Show InChI InChI=1S/C21H27N5O3S/c1-15(2)14-30(28,29)26-7-6-17-18(16-4-5-20(27)22-13-16)12-19(23-21(17)26)25-10-8-24(3)9-11-25/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,22,27)
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231n/an/an/an/an/an/an/an/a



Selvita S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method


Bioorg Med Chem Lett 26: 2610-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50166848
PNG
(CHEMBL3800150)
Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C29H34N4O3S/c1-22(2)21-37(34,35)33-14-13-26-27(19-28(30-29(26)33)32-17-15-31(3)16-18-32)24-9-11-25(12-10-24)36-20-23-7-5-4-6-8-23/h4-14,19,22H,15-18,20-21H2,1-3H3
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290n/an/an/an/an/an/an/an/a



Selvita S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method


Bioorg Med Chem Lett 26: 2610-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50166852
PNG
(CHEMBL3797717)
Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H27F3N4O2S/c1-16(2)15-33(31,32)30-9-8-19-20(17-4-6-18(7-5-17)23(24,25)26)14-21(27-22(19)30)29-12-10-28(3)11-13-29/h4-9,14,16H,10-13,15H2,1-3H3
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367n/an/an/an/an/an/an/an/a



Selvita S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method


Bioorg Med Chem Lett 26: 2610-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50166844
PNG
(CHEMBL3798478)
Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C24H29N5O2S/c1-17(2)16-32(30,31)29-9-7-20-21(18-4-5-22-19(14-18)6-8-25-22)15-23(26-24(20)29)28-12-10-27(3)11-13-28/h4-9,14-15,17,25H,10-13,16H2,1-3H3
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382n/an/an/an/an/an/an/an/a



Selvita S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method


Bioorg Med Chem Lett 26: 2610-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50166854
PNG
(CHEMBL3799638)
Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccccc1
Show InChI InChI=1S/C22H28N4O2S/c1-17(2)16-29(27,28)26-10-9-19-20(18-7-5-4-6-8-18)15-21(23-22(19)26)25-13-11-24(3)12-14-25/h4-10,15,17H,11-14,16H2,1-3H3
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547n/an/an/an/an/an/an/an/a



Selvita S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method


Bioorg Med Chem Lett 26: 2610-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50166853
PNG
(CHEMBL3798953)
Show SMILES CCc1ccc(cc1)-c1cc(nc2n(ccc12)S(=O)(=O)CC(C)C)N1CCN(C)CC1
Show InChI InChI=1S/C24H32N4O2S/c1-5-19-6-8-20(9-7-19)22-16-23(27-14-12-26(4)13-15-27)25-24-21(22)10-11-28(24)31(29,30)17-18(2)3/h6-11,16,18H,5,12-15,17H2,1-4H3
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614n/an/an/an/an/an/an/an/a



Selvita S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method


Bioorg Med Chem Lett 26: 2610-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50166851
PNG
(CHEMBL3798840)
Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H27F3N4O2S/c1-16(2)15-33(31,32)30-8-7-19-20(17-5-4-6-18(13-17)23(24,25)26)14-21(27-22(19)30)29-11-9-28(3)10-12-29/h4-8,13-14,16H,9-12,15H2,1-3H3
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630n/an/an/an/an/an/an/an/a



Selvita S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method


Bioorg Med Chem Lett 26: 2610-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50166856
PNG
(CHEMBL3800251)
Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1cc(C)sc1C
Show InChI InChI=1S/C22H30N4O2S2/c1-15(2)14-30(27,28)26-7-6-18-20(19-12-16(3)29-17(19)4)13-21(23-22(18)26)25-10-8-24(5)9-11-25/h6-7,12-13,15H,8-11,14H2,1-5H3
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640n/an/an/an/an/an/an/an/a



Selvita S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method


Bioorg Med Chem Lett 26: 2610-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50166858
PNG
(CHEMBL3800153)
Show SMILES CN1CCN(CC1)c1cc(-c2ccc(cc2)C(F)(F)F)c2ccn(c2n1)S(C)(=O)=O
Show InChI InChI=1S/C20H21F3N4O2S/c1-25-9-11-26(12-10-25)18-13-17(14-3-5-15(6-4-14)20(21,22)23)16-7-8-27(19(16)24-18)30(2,28)29/h3-8,13H,9-12H2,1-2H3
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1.23E+3n/an/an/an/an/an/an/an/a



Selvita S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method


Bioorg Med Chem Lett 26: 2610-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50166863
PNG
(CHEMBL3799529)
Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCNCC1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H19NO5/c1-13-4-5-17(10-14(13)2)19(24)12-28-22(27)16-6-8-18(9-7-16)23-20(25)11-15(3)21(23)26/h4-11H,12H2,1-3H3
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1.70E+3n/an/an/an/an/an/an/an/a



Selvita S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method


Bioorg Med Chem Lett 26: 2610-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50166860
PNG
(CHEMBL3799330)
Show SMILES CN1CCN(CC1)c1cc(-c2ccc(cc2)C(F)(F)F)c2ccn(c2n1)S(=O)(=O)C1CCCCC1
Show InChI InChI=1S/C25H29F3N4O2S/c1-30-13-15-31(16-14-30)23-17-22(18-7-9-19(10-8-18)25(26,27)28)21-11-12-32(24(21)29-23)35(33,34)20-5-3-2-4-6-20/h7-12,17,20H,2-6,13-16H2,1H3
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>2.00E+3n/an/an/an/an/an/an/an/a



Selvita S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method


Bioorg Med Chem Lett 26: 2610-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50166861
PNG
(CHEMBL3799448)
Show SMILES CN1CCN(CC1)c1cc(-c2ccc(cc2)C(F)(F)F)c2ccn(c2n1)S(=O)(=O)C1CCOCC1
Show InChI InChI=1S/C26H23NO5/c1-14-3-4-17(11-15(14)2)21(28)13-32-26(31)16-7-9-20(10-8-16)27-24(29)22-18-5-6-19(12-18)23(22)25(27)30/h3-11,18-19,29-30H,12-13H2,1-2H3
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>2.00E+3n/an/an/an/an/an/an/an/a



Selvita S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method


Bioorg Med Chem Lett 26: 2610-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50166845
PNG
(CHEMBL3799430)
Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc(cc1)C(=O)N(C)C
Show InChI InChI=1S/C25H33N5O3S/c1-18(2)17-34(32,33)30-11-10-21-22(19-6-8-20(9-7-19)25(31)27(3)4)16-23(26-24(21)30)29-14-12-28(5)13-15-29/h6-11,16,18H,12-15,17H2,1-5H3
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>2.00E+3n/an/an/an/an/an/an/an/a



Selvita S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method


Bioorg Med Chem Lett 26: 2610-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50166857
PNG
(CHEMBL3800055)
Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1c(C)noc1C
Show InChI InChI=1S/C21H29N5O3S/c1-14(2)13-30(27,28)26-7-6-17-18(20-15(3)23-29-16(20)4)12-19(22-21(17)26)25-10-8-24(5)9-11-25/h6-7,12,14H,8-11,13H2,1-5H3
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>2.00E+3n/an/an/an/an/an/an/an/a



Selvita S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method


Bioorg Med Chem Lett 26: 2610-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50166855
PNG
(CHEMBL3800576)
Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1cnn(C)c1
Show InChI InChI=1S/C20H28N6O2S/c1-15(2)14-29(27,28)26-6-5-17-18(16-12-21-24(4)13-16)11-19(22-20(17)26)25-9-7-23(3)8-10-25/h5-6,11-13,15H,7-10,14H2,1-4H3
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>2.00E+3n/an/an/an/an/an/an/an/a



Selvita S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method


Bioorg Med Chem Lett 26: 2610-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50166842
PNG
(CHEMBL3800442)
Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc(=O)[nH]c1
Show InChI InChI=1S/C21H27N5O3S/c1-15(2)14-30(28,29)26-7-6-17-18(16-4-5-20(27)22-13-16)12-19(23-21(17)26)25-10-8-24(3)9-11-25/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,22,27)
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>2.00E+3n/an/an/an/an/an/an/an/a



Selvita S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method


Bioorg Med Chem Lett 26: 2610-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50166845
PNG
(CHEMBL3799430)
Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc(cc1)C(=O)N(C)C
Show InChI InChI=1S/C25H33N5O3S/c1-18(2)17-34(32,33)30-11-10-21-22(19-6-8-20(9-7-19)25(31)27(3)4)16-23(26-24(21)30)29-14-12-28(5)13-15-29/h6-11,16,18H,12-15,17H2,1-5H3
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>2.00E+3n/an/an/an/an/an/an/an/a



Selvita S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method


Bioorg Med Chem Lett 26: 2610-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50166843
PNG
(CHEMBL3797293)
Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1cccnc1
Show InChI InChI=1S/C21H27N5O2S/c1-16(2)15-29(27,28)26-8-6-18-19(17-5-4-7-22-14-17)13-20(23-21(18)26)25-11-9-24(3)10-12-25/h4-8,13-14,16H,9-12,15H2,1-3H3
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>2.00E+3n/an/an/an/an/an/an/an/a



Selvita S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method


Bioorg Med Chem Lett 26: 2610-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50166852
PNG
(CHEMBL3797717)
Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H27F3N4O2S/c1-16(2)15-33(31,32)30-9-8-19-20(17-4-6-18(7-5-17)23(24,25)26)14-21(27-22(19)30)29-12-10-28(3)11-13-29/h4-9,14,16H,10-13,15H2,1-3H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Selvita S.A.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP3A4 using 7-benzyloxy-trifluoromethylcoumarin as substrate incubated for 30 mins by fluorescence analysis in prese...


Bioorg Med Chem Lett 26: 2610-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50166863
PNG
(CHEMBL3799529)
Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCNCC1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H19NO5/c1-13-4-5-17(10-14(13)2)19(24)12-28-22(27)16-6-8-18(9-7-16)23-20(25)11-15(3)21(23)26/h4-11H,12H2,1-3H3
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n/an/a<1.10E+3n/an/an/an/an/an/a



Selvita S.A.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP3A4 using 7-benzyloxy-trifluoromethylcoumarin as substrate incubated for 30 mins by fluorescence analysis in prese...


Bioorg Med Chem Lett 26: 2610-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50166863
PNG
(CHEMBL3799529)
Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCNCC1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H19NO5/c1-13-4-5-17(10-14(13)2)19(24)12-28-22(27)16-6-8-18(9-7-16)23-20(25)11-15(3)21(23)26/h4-11H,12H2,1-3H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



Selvita S.A.

Curated by ChEMBL


Assay Description
Inhibition of human ERG1 expressed in CHO cells by whole cell patch clamp electrophysiology method


Bioorg Med Chem Lett 26: 2610-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50166852
PNG
(CHEMBL3797717)
Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H27F3N4O2S/c1-16(2)15-33(31,32)30-9-8-19-20(17-4-6-18(7-5-17)23(24,25)26)14-21(27-22(19)30)29-12-10-28(3)11-13-29/h4-9,14,16H,10-13,15H2,1-3H3
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n/an/a 2.10E+3n/an/an/an/an/an/a



Selvita S.A.

Curated by ChEMBL


Assay Description
Inhibition of human ERG1 expressed in CHO cells by whole cell patch clamp electrophysiology method


Bioorg Med Chem Lett 26: 2610-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50166852
PNG
(CHEMBL3797717)
Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H27F3N4O2S/c1-16(2)15-33(31,32)30-9-8-19-20(17-4-6-18(7-5-17)23(24,25)26)14-21(27-22(19)30)29-12-10-28(3)11-13-29/h4-9,14,16H,10-13,15H2,1-3H3
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n/an/a 3.30E+3n/an/an/an/an/an/a



Selvita S.A.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2D6 using AMMC as substrate incubated for 45 mins by fluorescence analysis in presence of NADPH


Bioorg Med Chem Lett 26: 2610-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50166863
PNG
(CHEMBL3799529)
Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCNCC1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H19NO5/c1-13-4-5-17(10-14(13)2)19(24)12-28-22(27)16-6-8-18(9-7-16)23-20(25)11-15(3)21(23)26/h4-11H,12H2,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Selvita S.A.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2D6 using AMMC as substrate incubated for 45 mins by fluorescence analysis in presence of NADPH


Bioorg Med Chem Lett 26: 2610-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48
More data for this
Ligand-Target Pair