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PubMed code 28719185

Compile data set for download or QSAR
Found 21 hits of Enzyme Inhibition Constant Data   
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 7


(Homo sapiens (Human))		BDBM50001888
PNG
((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
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 480n/an/an/an/an/an/an/an/a



Michigan State University



Assay Description
Human embryonic kidney (HEK-293) cells were plated in 100 mm plates and transfected with pcDNA3.1-D2R using Lipofectamine 2000 (Invitrogen; Waltham, ...

ACS Chem Biol 12: 2240-2247 (2017)


Article DOI: 10.1021/acschembio.7b00489
BindingDB Entry DOI: 10.7270/Q2DV1H2F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM65511
PNG
(CPZ analog, 5)
Show SMILES Clc1ccc2Sc3ccccc3N(CCCCN3CCOCC3)c2c1
Show InChI InChI=1S/C20H23ClN2OS/c21-16-7-8-20-18(15-16)23(17-5-1-2-6-19(17)25-20)10-4-3-9-22-11-13-24-14-12-22/h1-2,5-8,15H,3-4,9-14H2
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>2.97E+3n/an/an/an/an/an/an/an/a



Michigan State University



Assay Description
Human embryonic kidney (HEK-293) cells were plated in 100 mm plates and transfected with pcDNA3.1-D2R using Lipofectamine 2000 (Invitrogen; Waltham, ...

ACS Chem Biol 12: 2240-2247 (2017)


Article DOI: 10.1021/acschembio.7b00489
BindingDB Entry DOI: 10.7270/Q2DV1H2F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM65514
PNG
(CPZ analog, 8)
Show SMILES COC(=O)c1ccc(CN2c3ccccc3Sc3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C21H16ClNO2S/c1-25-21(24)15-8-6-14(7-9-15)13-23-17-4-2-3-5-19(17)26-20-11-10-16(22)12-18(20)23/h2-12H,13H2,1H3
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>2.50E+5n/an/an/an/an/an/an/an/a



Michigan State University



Assay Description
Human embryonic kidney (HEK-293) cells were plated in 100 mm plates and transfected with pcDNA3.1-D2R using Lipofectamine 2000 (Invitrogen; Waltham, ...

ACS Chem Biol 12: 2240-2247 (2017)


Article DOI: 10.1021/acschembio.7b00489
BindingDB Entry DOI: 10.7270/Q2DV1H2F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM65508
PNG
(CPZ analog, 2)
Show SMILES OS(=O)(=O)CCCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C16H16ClNO3S2/c17-12-7-8-16-14(11-12)18(9-3-4-10-23(19,20)21)13-5-1-2-6-15(13)22-16/h1-2,5-8,11H,3-4,9-10H2,(H,19,20,21)
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>2.50E+5n/an/an/an/an/an/an/an/a



Michigan State University



Assay Description
Human embryonic kidney (HEK-293) cells were plated in 100 mm plates and transfected with pcDNA3.1-D2R using Lipofectamine 2000 (Invitrogen; Waltham, ...

ACS Chem Biol 12: 2240-2247 (2017)


Article DOI: 10.1021/acschembio.7b00489
BindingDB Entry DOI: 10.7270/Q2DV1H2F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM65512
PNG
(CPZ analog, 6)
Show SMILES OC(=O)C#CCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C16H10ClNO2S/c17-11-7-8-15-13(10-11)18(9-3-6-16(19)20)12-4-1-2-5-14(12)21-15/h1-2,4-5,7-8,10H,9H2,(H,19,20)
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>2.50E+5n/an/an/an/an/an/an/an/a



Michigan State University



Assay Description
Human embryonic kidney (HEK-293) cells were plated in 100 mm plates and transfected with pcDNA3.1-D2R using Lipofectamine 2000 (Invitrogen; Waltham, ...

ACS Chem Biol 12: 2240-2247 (2017)


Article DOI: 10.1021/acschembio.7b00489
BindingDB Entry DOI: 10.7270/Q2DV1H2F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM65513
PNG
(CPZ analog, 7)
Show SMILES OC(=O)c1ccc(CN2c3ccccc3Sc3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C20H14ClNO2S/c21-15-9-10-19-17(11-15)22(16-3-1-2-4-18(16)25-19)12-13-5-7-14(8-6-13)20(23)24/h1-11H,12H2,(H,23,24)
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>2.50E+5n/an/an/an/an/an/an/an/a



Michigan State University



Assay Description
Human embryonic kidney (HEK-293) cells were plated in 100 mm plates and transfected with pcDNA3.1-D2R using Lipofectamine 2000 (Invitrogen; Waltham, ...

ACS Chem Biol 12: 2240-2247 (2017)


Article DOI: 10.1021/acschembio.7b00489
BindingDB Entry DOI: 10.7270/Q2DV1H2F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM65507
PNG
(CPZ analog, 1)
Show SMILES CC(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C18H20ClNS/c1-13(2)6-5-11-20-15-7-3-4-8-17(15)21-18-10-9-14(19)12-16(18)20/h3-4,7-10,12-13H,5-6,11H2,1-2H3
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>2.50E+5n/an/an/an/an/an/an/an/a



Michigan State University



Assay Description
Human embryonic kidney (HEK-293) cells were plated in 100 mm plates and transfected with pcDNA3.1-D2R using Lipofectamine 2000 (Invitrogen; Waltham, ...

ACS Chem Biol 12: 2240-2247 (2017)


Article DOI: 10.1021/acschembio.7b00489
BindingDB Entry DOI: 10.7270/Q2DV1H2F
More data for this
Ligand-Target Pair
Proteasome subunit alpha type-6


(Homo sapiens (Human))		BDBM65507
PNG
(CPZ analog, 1)
Show SMILES CC(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C18H20ClNS/c1-13(2)6-5-11-20-15-7-3-4-8-17(15)21-18-10-9-14(19)12-16(18)20/h3-4,7-10,12-13H,5-6,11H2,1-2H3
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n/an/an/an/a>2.50E+4n/an/a7.537



Michigan State University



Assay Description
Activity assays were carried out in a 200 uL reaction volume. Different concentrations of test compounds were added to a black flat/clear bottom 96-w...

ACS Chem Biol 12: 2240-2247 (2017)


Article DOI: 10.1021/acschembio.7b00489
BindingDB Entry DOI: 10.7270/Q2DV1H2F
More data for this
Ligand-Target Pair
Proteasome subunit alpha type-6


(Homo sapiens (Human))		BDBM65508
PNG
(CPZ analog, 2)
Show SMILES OS(=O)(=O)CCCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C16H16ClNO3S2/c17-12-7-8-16-14(11-12)18(9-3-4-10-23(19,20)21)13-5-1-2-6-15(13)22-16/h1-2,5-8,11H,3-4,9-10H2,(H,19,20,21)
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n/an/an/an/a 6.30E+3n/an/a7.537



Michigan State University



Assay Description
Activity assays were carried out in a 200 uL reaction volume. Different concentrations of test compounds were added to a black flat/clear bottom 96-w...

ACS Chem Biol 12: 2240-2247 (2017)


Article DOI: 10.1021/acschembio.7b00489
BindingDB Entry DOI: 10.7270/Q2DV1H2F
More data for this
Ligand-Target Pair
Proteasome subunit alpha type-6


(Homo sapiens (Human))		BDBM65513
PNG
(CPZ analog, 7)
Show SMILES OC(=O)c1ccc(CN2c3ccccc3Sc3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C20H14ClNO2S/c21-15-9-10-19-17(11-15)22(16-3-1-2-4-18(16)25-19)12-13-5-7-14(8-6-13)20(23)24/h1-11H,12H2,(H,23,24)
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n/an/an/an/a 6.40E+3n/an/a7.537



Michigan State University



Assay Description
Activity assays were carried out in a 200 uL reaction volume. Different concentrations of test compounds were added to a black flat/clear bottom 96-w...

ACS Chem Biol 12: 2240-2247 (2017)


Article DOI: 10.1021/acschembio.7b00489
BindingDB Entry DOI: 10.7270/Q2DV1H2F
More data for this
Ligand-Target Pair
Proteasome subunit alpha type-6


(Homo sapiens (Human))		BDBM65511
PNG
(CPZ analog, 5)
Show SMILES Clc1ccc2Sc3ccccc3N(CCCCN3CCOCC3)c2c1
Show InChI InChI=1S/C20H23ClN2OS/c21-16-7-8-20-18(15-16)23(17-5-1-2-6-19(17)25-20)10-4-3-9-22-11-13-24-14-12-22/h1-2,5-8,15H,3-4,9-14H2
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n/an/an/an/a 8.90E+3n/an/a7.537



Michigan State University



Assay Description
Activity assays were carried out in a 200 uL reaction volume. Different concentrations of test compounds were added to a black flat/clear bottom 96-w...

ACS Chem Biol 12: 2240-2247 (2017)


Article DOI: 10.1021/acschembio.7b00489
BindingDB Entry DOI: 10.7270/Q2DV1H2F
More data for this
Ligand-Target Pair
Proteasome subunit alpha type-6


(Homo sapiens (Human))		BDBM65509
PNG
(CPZ analog, 3)
Show SMILES OS(=O)(=O)CCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C15H14ClNO3S2/c16-11-6-7-15-13(10-11)17(8-3-9-22(18,19)20)12-4-1-2-5-14(12)21-15/h1-2,4-7,10H,3,8-9H2,(H,18,19,20)
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n/an/an/an/a>2.50E+4n/an/a7.537



Michigan State University



Assay Description
Activity assays were carried out in a 200 uL reaction volume. Different concentrations of test compounds were added to a black flat/clear bottom 96-w...

ACS Chem Biol 12: 2240-2247 (2017)


Article DOI: 10.1021/acschembio.7b00489
BindingDB Entry DOI: 10.7270/Q2DV1H2F
More data for this
Ligand-Target Pair
Proteasome subunit alpha type-6


(Homo sapiens (Human))		BDBM67544
PNG
(N,N-dimethyl-3-[2-(trifluoromethyl)-10-phenothiazi...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(cc12)C(F)(F)F
Show InChI InChI=1S/C18H19F3N2S/c1-22(2)10-5-11-23-14-6-3-4-7-16(14)24-17-9-8-13(12-15(17)23)18(19,20)21/h3-4,6-9,12H,5,10-11H2,1-2H3
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n/an/an/an/a 7.80E+3n/an/a7.537



Michigan State University



Assay Description
Activity assays were carried out in a 200 uL reaction volume. Different concentrations of test compounds were added to a black flat/clear bottom 96-w...

ACS Chem Biol 12: 2240-2247 (2017)


Article DOI: 10.1021/acschembio.7b00489
BindingDB Entry DOI: 10.7270/Q2DV1H2F
More data for this
Ligand-Target Pair
Proteasome subunit alpha type-6


(Homo sapiens (Human))		BDBM77970
PNG
(3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11...)
Show SMILES CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc12
Show InChI InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3
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n/an/an/an/a 1.24E+4n/an/a7.537



Michigan State University



Assay Description
Activity assays were carried out in a 200 uL reaction volume. Different concentrations of test compounds were added to a black flat/clear bottom 96-w...

ACS Chem Biol 12: 2240-2247 (2017)


Article DOI: 10.1021/acschembio.7b00489
BindingDB Entry DOI: 10.7270/Q2DV1H2F
More data for this
Ligand-Target Pair
Proteasome subunit alpha type-6


(Homo sapiens (Human))		BDBM65510
PNG
(CPZ analog, 4)
Show SMILES OS(=O)(=O)CCCCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C17H18ClNO3S2/c18-13-8-9-17-15(12-13)19(10-4-1-5-11-24(20,21)22)14-6-2-3-7-16(14)23-17/h2-3,6-9,12H,1,4-5,10-11H2,(H,20,21,22)
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n/an/an/an/a>2.50E+4n/an/a7.537



Michigan State University



Assay Description
Activity assays were carried out in a 200 uL reaction volume. Different concentrations of test compounds were added to a black flat/clear bottom 96-w...

ACS Chem Biol 12: 2240-2247 (2017)


Article DOI: 10.1021/acschembio.7b00489
BindingDB Entry DOI: 10.7270/Q2DV1H2F
More data for this
Ligand-Target Pair
Proteasome subunit alpha type-6


(Homo sapiens (Human))		BDBM65514
PNG
(CPZ analog, 8)
Show SMILES COC(=O)c1ccc(CN2c3ccccc3Sc3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C21H16ClNO2S/c1-25-21(24)15-8-6-14(7-9-15)13-23-17-4-2-3-5-19(17)26-20-11-10-16(22)12-18(20)23/h2-12H,13H2,1H3
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n/an/an/an/a 1.56E+4n/an/a7.537



Michigan State University



Assay Description
Activity assays were carried out in a 200 uL reaction volume. Different concentrations of test compounds were added to a black flat/clear bottom 96-w...

ACS Chem Biol 12: 2240-2247 (2017)


Article DOI: 10.1021/acschembio.7b00489
BindingDB Entry DOI: 10.7270/Q2DV1H2F
More data for this
Ligand-Target Pair
Proteasome subunit alpha type-6


(Homo sapiens (Human))		BDBM50001888
PNG
((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
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n/an/an/an/a 1.48E+4n/an/a7.537



Michigan State University



Assay Description
Activity assays were carried out in a 200 uL reaction volume. Different concentrations of test compounds were added to a black flat/clear bottom 96-w...

ACS Chem Biol 12: 2240-2247 (2017)


Article DOI: 10.1021/acschembio.7b00489
BindingDB Entry DOI: 10.7270/Q2DV1H2F
More data for this
Ligand-Target Pair
Proteasome subunit alpha type-6


(Homo sapiens (Human))		BDBM65512
PNG
(CPZ analog, 6)
Show SMILES OC(=O)C#CCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C16H10ClNO2S/c17-11-7-8-15-13(10-11)18(9-3-6-16(19)20)12-4-1-2-5-14(12)21-15/h1-2,4-5,7-8,10H,9H2,(H,19,20)
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n/an/an/an/a>2.50E+4n/an/a7.537



Michigan State University



Assay Description
Activity assays were carried out in a 200 uL reaction volume. Different concentrations of test compounds were added to a black flat/clear bottom 96-w...

ACS Chem Biol 12: 2240-2247 (2017)


Article DOI: 10.1021/acschembio.7b00489
BindingDB Entry DOI: 10.7270/Q2DV1H2F
More data for this
Ligand-Target Pair
Proteasome subunit alpha type-6


(Homo sapiens (Human))		BDBM50001888
PNG
((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
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n/an/an/an/a 9.90E+3n/an/a7.537



Michigan State University



Assay Description
Activity assays were carried out in a 200 uL reaction volume. Different concentrations of test compounds were added to a black flat/clear bottom 96-w...

ACS Chem Biol 12: 2240-2247 (2017)


Article DOI: 10.1021/acschembio.7b00489
BindingDB Entry DOI: 10.7270/Q2DV1H2F
More data for this
Ligand-Target Pair
Proteasome subunit alpha type-6


(Homo sapiens (Human))		BDBM79211
PNG
(1-methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine;h...)
Show SMILES CN1CCCC(CC2c3ccccc3Sc3ccccc23)C1
Show InChI InChI=1S/C20H23NS/c1-21-12-6-7-15(14-21)13-18-16-8-2-4-10-19(16)22-20-11-5-3-9-17(18)20/h2-5,8-11,15,18H,6-7,12-14H2,1H3
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n/an/an/an/a 1.19E+4n/an/a7.537



Michigan State University



Assay Description
Activity assays were carried out in a 200 uL reaction volume. Different concentrations of test compounds were added to a black flat/clear bottom 96-w...

ACS Chem Biol 12: 2240-2247 (2017)


Article DOI: 10.1021/acschembio.7b00489
BindingDB Entry DOI: 10.7270/Q2DV1H2F
More data for this
Ligand-Target Pair
Proteasome subunit alpha type-6


(Homo sapiens (Human))		BDBM50002338
PNG
((Thioridazine)10-[2-(1-Methyl-piperidin-2-yl)-ethy...)
Show SMILES CSc1ccc2Sc3ccccc3N(CCC3CCCCN3C)c2c1
Show InChI InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
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n/an/an/an/a 1.20E+4n/an/a7.537



Michigan State University



Assay Description
Activity assays were carried out in a 200 uL reaction volume. Different concentrations of test compounds were added to a black flat/clear bottom 96-w...

ACS Chem Biol 12: 2240-2247 (2017)


Article DOI: 10.1021/acschembio.7b00489
BindingDB Entry DOI: 10.7270/Q2DV1H2F
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%