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Compile Data Set for Download or QSAR

Found 8750 hits with Last Name = 'zu' and Initial = 'p'   
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 2A


(Homo sapiens (Human))		BDBM50001775
PNG
((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...)
Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3
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 0.0100n/an/an/an/an/an/an/an/a



Syntex Discovery Research

Curated by PDSP Ki Database




Br J Pharmacol 115: 622-8 (1995)


Article DOI: 10.1111/j.1476-5381.1995.tb14977.x
BindingDB Entry DOI: 10.7270/Q2BR8QP0
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))		BDBM283229
PNG
(4'-(5-Aminopyrazin-2-yl)-3'-fluoro-N-(3- hydroxy-1...)
Show SMILES CC(C)(CCO)NS(=O)(=O)c1ccccc1-c1ccc(c(F)c1)-c1cnc(N)cn1
Show InChI InChI=1S/C21H23FN4O3S/c1-21(2,9-10-27)26-30(28,29)19-6-4-3-5-15(19)14-7-8-16(17(22)11-14)18-12-25-20(23)13-24-18/h3-8,11-13,26-27H,9-10H2,1-2H3,(H2,23,25)
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<0.100n/an/an/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chai...

US Patent US9884878 (2018)


BindingDB Entry DOI: 10.7270/Q2R78H8P
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))		BDBM283230
PNG
(4'-(5-Aminopyrazin-2-yl)-3'-fluoro-N-(3- hydroxy-2...)
Show SMILES CC(C)(CO)CNS(=O)(=O)c1ccccc1-c1ccc(c(F)c1)-c1cnc(N)cn1
Show InChI InChI=1S/C21H23FN4O3S/c1-21(2,13-27)12-26-30(28,29)19-6-4-3-5-15(19)14-7-8-16(17(22)9-14)18-10-25-20(23)11-24-18/h3-11,26-27H,12-13H2,1-2H3,(H2,23,25)
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<0.100n/an/an/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chai...

US Patent US9884878 (2018)


BindingDB Entry DOI: 10.7270/Q2R78H8P
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))		BDBM283287
PNG
(4'-(5-aminopyrazin-2-yl)-3'-fluoro-N-((1S,2R)- 2-h...)
Show SMILES Nc1cnc(cn1)-c1ccc(cc1F)-c1ccccc1S(=O)(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
Show InChI InChI=1S/C25H21FN4O3S/c26-20-11-16(9-10-19(20)21-13-29-24(27)14-28-21)17-6-3-4-8-23(17)34(32,33)30-25-18-7-2-1-5-15(18)12-22(25)31/h1-11,13-14,22,25,30-31H,12H2,(H2,27,29)/t22-,25+/m1/s1
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<0.100n/an/an/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chai...

US Patent US9884878 (2018)


BindingDB Entry DOI: 10.7270/Q2R78H8P
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))		BDBM283262
PNG
((S)-(1-{[4'-(5-Aminopyrazin-2-yl)-3'- fluorobiphen...)
Show SMILES Nc1cnc(cn1)-c1ccc(cc1F)-c1ccccc1S(=O)(=O)N1[C@H](CO)Cc2ccccc12 |r|
Show InChI InChI=1S/C25H21FN4O3S/c26-21-12-16(9-10-20(21)22-13-29-25(27)14-28-22)19-6-2-4-8-24(19)34(32,33)30-18(15-31)11-17-5-1-3-7-23(17)30/h1-10,12-14,18,31H,11,15H2,(H2,27,29)/t18-/m0/s1
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<0.100n/an/an/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chai...

US Patent US9884878 (2018)


BindingDB Entry DOI: 10.7270/Q2R78H8P
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))		BDBM283303
PNG
(5-{3-Fluoro-2'-[(4-pyrazin-2-ylpiperazin-1- yl)sul...)
Show SMILES Nc1cnc(cn1)-c1ccc(cc1F)-c1ccccc1S(=O)(=O)N1CCN(CC1)c1cnccn1
Show InChI InChI=1S/C24H22FN7O2S/c25-20-13-17(5-6-19(20)21-14-30-23(26)15-29-21)18-3-1-2-4-22(18)35(33,34)32-11-9-31(10-12-32)24-16-27-7-8-28-24/h1-8,13-16H,9-12H2,(H2,26,30)
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<0.100n/an/an/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chai...

US Patent US9884878 (2018)


BindingDB Entry DOI: 10.7270/Q2R78H8P
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))		BDBM283304
PNG
(5-{3-Fluoro-2'-[(4-pyrimidin-2-ylpiperazin-1- yl)s...)
Show SMILES Nc1cnc(cn1)-c1ccc(cc1F)-c1ccccc1S(=O)(=O)N1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C24H22FN7O2S/c25-20-14-17(6-7-19(20)21-15-30-23(26)16-29-21)18-4-1-2-5-22(18)35(33,34)32-12-10-31(11-13-32)24-27-8-3-9-28-24/h1-9,14-16H,10-13H2,(H2,26,30)
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JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chai...

US Patent US9884878 (2018)


BindingDB Entry DOI: 10.7270/Q2R78H8P
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))		BDBM283306
PNG
(4'-(5-Aminopyrazin-2-yl)-3'-fluoro-N-[1- (hydroxym...)
Show SMILES Nc1cnc(cn1)-c1ccc(cc1F)-c1ccccc1S(=O)(=O)NC1(CO)CCCC1
Show InChI InChI=1S/C22H23FN4O3S/c23-18-11-15(7-8-17(18)19-12-26-21(24)13-25-19)16-5-1-2-6-20(16)31(29,30)27-22(14-28)9-3-4-10-22/h1-2,5-8,11-13,27-28H,3-4,9-10,14H2,(H2,24,26)
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<0.100n/an/an/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chai...

US Patent US9884878 (2018)


BindingDB Entry DOI: 10.7270/Q2R78H8P
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))		BDBM283288
PNG
(4'-(5-aminopyrazin-2-yl)-3'-fluoro-N-((1R,2S)- 2-h...)
Show SMILES Nc1cnc(cn1)-c1ccc(cc1F)-c1ccccc1S(=O)(=O)N[C@H]1[C@@H](O)Cc2ccccc12 |r|
Show InChI InChI=1S/C25H21FN4O3S/c26-20-11-16(9-10-19(20)21-13-29-24(27)14-28-21)17-6-3-4-8-23(17)34(32,33)30-25-18-7-2-1-5-15(18)12-22(25)31/h1-11,13-14,22,25,30-31H,12H2,(H2,27,29)/t22-,25+/m0/s1
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<0.100n/an/an/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chai...

US Patent US9884878 (2018)


BindingDB Entry DOI: 10.7270/Q2R78H8P
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))		BDBM283245
PNG
(4'-(5-aminopyrazin-2-yl)-3'-fluoro-N-((1S,2S)- 1-h...)
Show SMILES C[C@@H]([C@@H](O)c1ccccc1)N(C)S(=O)(=O)c1ccccc1-c1ccc(c(F)c1)-c1cnc(N)cn1 |r|
Show InChI InChI=1S/C26H25FN4O3S/c1-17(26(32)18-8-4-3-5-9-18)31(2)35(33,34)24-11-7-6-10-20(24)19-12-13-21(22(27)14-19)23-15-30-25(28)16-29-23/h3-17,26,32H,1-2H3,(H2,28,30)/t17-,26+/m0/s1
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<0.100n/an/an/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chai...

US Patent US9884878 (2018)


BindingDB Entry DOI: 10.7270/Q2R78H8P
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))		BDBM283335
PNG
(4'-(5-Aminopyrazxin-2-yl)-3'-fluoro-N-methyl-4- (t...)
Show SMILES CNS(=O)(=O)c1cc(ccc1-c1ccc(c(F)c1)-c1cnc(N)cn1)C(F)(F)F
Show InChI InChI=1S/C18H14F4N4O2S/c1-24-29(27,28)16-7-11(18(20,21)22)3-5-12(16)10-2-4-13(14(19)6-10)15-8-26-17(23)9-25-15/h2-9,24H,1H3,(H2,23,26)
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<0.100n/an/an/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chai...

US Patent US9884878 (2018)


BindingDB Entry DOI: 10.7270/Q2R78H8P
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))		BDBM283337
PNG
(4'-(5-aminopyrazin-2-yl)-3'-fluoro-N-(2- hydroxyet...)
Show SMILES Nc1cnc(cn1)-c1ccc(cc1F)-c1ccc(cc1S(=O)(=O)NCCO)C(F)(F)F
Show InChI InChI=1S/C19H16F4N4O3S/c20-15-7-11(1-3-14(15)16-9-26-18(24)10-25-16)13-4-2-12(19(21,22)23)8-17(13)31(29,30)27-5-6-28/h1-4,7-10,27-28H,5-6H2,(H2,24,26)
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<0.100n/an/an/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chai...

US Patent US9884878 (2018)


BindingDB Entry DOI: 10.7270/Q2R78H8P
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))		BDBM283508
PNG
(2-{2'-[(1,1-Dioxidothiomorpholin-4-yl)sulfonyl]- 3...)
Show SMILES Fc1cc(ccc1-c1cnc2[nH]ccc2n1)-c1ccccc1S(=O)(=O)N1CCS(=O)(=O)CC1
Show InChI InChI=1S/C22H19FN4O4S2/c23-18-13-15(5-6-17(18)20-14-25-22-19(26-20)7-8-24-22)16-3-1-2-4-21(16)33(30,31)27-9-11-32(28,29)12-10-27/h1-8,13-14H,9-12H2,(H,24,25)
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<0.100n/an/an/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chai...

US Patent US9884878 (2018)


BindingDB Entry DOI: 10.7270/Q2R78H8P
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))		BDBM283677
PNG
(5-[3-Fluoro-2'-(pyrimidin-2-yloxy)-4'- (trifluorom...)
Show SMILES Nc1cnc(cn1)-c1ccc(cc1F)-c1ccc(cc1Oc1ncccn1)C(F)(F)F
Show InChI InChI=1S/C21H13F4N5O/c22-16-8-12(2-4-15(16)17-10-30-19(26)11-29-17)14-5-3-13(21(23,24)25)9-18(14)31-20-27-6-1-7-28-20/h1-11H,(H2,26,30)
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JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chai...

US Patent US9884878 (2018)


BindingDB Entry DOI: 10.7270/Q2R78H8P
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))		BDBM283248
PNG
((trans)-4'-(5-Aminopyrazin-2-yl)-3'-fluoro-N-[2- (...)
Show SMILES Nc1cnc(cn1)-c1ccc(cc1F)-c1ccccc1S(=O)(=O)N[C@H]1CCCC[C@@H]1CO |r|
Show InChI InChI=1S/C23H25FN4O3S/c24-19-11-15(9-10-18(19)21-12-27-23(25)13-26-21)17-6-2-4-8-22(17)32(30,31)28-20-7-3-1-5-16(20)14-29/h2,4,6,8-13,16,20,28-29H,1,3,5,7,14H2,(H2,25,27)/t16-,20+/m1/s1
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JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chai...

US Patent US9884878 (2018)


BindingDB Entry DOI: 10.7270/Q2R78H8P
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))		BDBM283502
PNG
(3'-Fluoro-4'-(5H-pyrrolo[2,3-b]pyrazin-2-yl)N-- N-...)
Show SMILES CC(NS(=O)(=O)c1ccccc1-c1ccc(c(F)c1)-c1cnc2[nH]ccc2n1)C(F)(F)F
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JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chai...

US Patent US9884878 (2018)


BindingDB Entry DOI: 10.7270/Q2R78H8P
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))		BDBM283516
PNG
(4'-(3,4-Dihydro-2H-pyrido[3,2-b][1,4]oxazin-7- yl)...)
Show SMILES C[C@H](CO)NS(=O)(=O)c1ccccc1-c1ccc(c(F)c1)-c1cnc2NCCOc2c1 |r|
Show InChI InChI=1S/C22H22FN3O4S/c1-14(13-27)26-31(28,29)21-5-3-2-4-18(21)15-6-7-17(19(23)10-15)16-11-20-22(25-12-16)24-8-9-30-20/h2-7,10-12,14,26-27H,8-9,13H2,1H3,(H,24,25)/t14-/m1/s1
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JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chai...

US Patent US9884878 (2018)


BindingDB Entry DOI: 10.7270/Q2R78H8P
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50063266
PNG
(6-Nitro-2-piperazin-1-yl-quinoline | 6-nitroquipaz...)
Show SMILES [O-][N+](=O)c1ccc2nc(ccc2c1)N1CCNCC1
Show InChI InChI=1S/C13H14N4O2/c18-17(19)11-2-3-12-10(9-11)1-4-13(15-12)16-7-5-14-6-8-16/h1-4,9,14H,5-8H2
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Article
PubMed
 0.170n/an/an/an/an/an/an/an/a



National Medicines Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-5HT from human SERT

Eur J Med Chem 49: 200-10 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.012
BindingDB Entry DOI: 10.7270/Q2K35V4Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50291284
PNG
(CHEMBL4170220)
Show SMILES CN([C@@H]1CCCc2cc(ccc12)S(=O)(=O)c1cccc(F)c1)C(N)=O |r|
Show InChI InChI=1S/C18H19FN2O3S/c1-21(18(20)22)17-7-2-4-12-10-15(8-9-16(12)17)25(23,24)14-6-3-5-13(19)11-14/h3,5-6,8-11,17H,2,4,7H2,1H3,(H2,20,22)/t17-/m1/s1
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 0.200n/an/an/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Binding affinity to 5HT6R (unknown origin)

Eur J Med Chem 144: 716-729 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.053
BindingDB Entry DOI: 10.7270/Q2ZK5K6S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50001775
PNG
((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...)
Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3
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 0.25n/an/an/an/an/an/an/an/a



Syntex Discovery Research

Curated by PDSP Ki Database




Br J Pharmacol 115: 622-8 (1995)


Article DOI: 10.1111/j.1476-5381.1995.tb14977.x
BindingDB Entry DOI: 10.7270/Q2BR8QP0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50318633
PNG
(3-benzenesulfonyl-8-piperazin-1-ylquinoline | CHEM...)
Show SMILES O=S(=O)(c1ccccc1)c1cnc2c(cccc2c1)N1CCNCC1
Show InChI InChI=1S/C19H19N3O2S/c23-25(24,16-6-2-1-3-7-16)17-13-15-5-4-8-18(19(15)21-14-17)22-11-9-20-10-12-22/h1-8,13-14,20H,9-12H2
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 0.280n/an/an/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Binding affinity to 5HT6R (unknown origin)

Eur J Med Chem 144: 716-729 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.053
BindingDB Entry DOI: 10.7270/Q2ZK5K6S
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))		BDBM337621
PNG
(5-{2-Fluoro-4-[2-tetrahydro-2H- pyran-4-ylsulfonyl...)
Show SMILES Nc1cnc(cn1)-c1ccc(cc1F)-c1ccc(nc1S(=O)(=O)C1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C21H18F4N4O3S/c22-16-9-12(1-2-15(16)17-10-28-19(26)11-27-17)14-3-4-18(21(23,24)25)29-20(14)33(30,31)13-5-7-32-8-6-13/h1-4,9-11,13H,5-8H2,(H2,26,28)
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 0.300n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
The FLAP binding assay is performed in HTRF format (homogeneous time resolved fluorescence). FLAP-containing membranes (1 μg/well final for huma...

US Patent US9745328 (2017)


BindingDB Entry DOI: 10.7270/Q2H13446
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50174269
PNG
(1-(phenylsulfonyl)-4-(piperazin-1-yl)-1H-indole | ...)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(cccc12)N1CCNCC1
Show InChI InChI=1S/C18H19N3O2S/c22-24(23,15-5-2-1-3-6-15)21-12-9-16-17(7-4-8-18(16)21)20-13-10-19-11-14-20/h1-9,12,19H,10-11,13-14H2
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 0.300n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5HT6 receptor expressed in HEK293 cells measured after 1 hr by microbeta plate reader method

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112765
BindingDB Entry DOI: 10.7270/Q2ZC86K7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50291286
PNG
(CHEMBL4169827)
Show SMILES O=S(=O)(c1ccccc1)n1ncc2c(cccc12)N1CCNCC1
Show InChI InChI=1S/C17H18N4O2S/c22-24(23,14-5-2-1-3-6-14)21-17-8-4-7-16(15(17)13-19-21)20-11-9-18-10-12-20/h1-8,13,18H,9-12H2
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 0.300n/an/an/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Binding affinity to 5HT6R (unknown origin)

Eur J Med Chem 144: 716-729 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.053
BindingDB Entry DOI: 10.7270/Q2ZK5K6S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM50001775
PNG
((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...)
Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3
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 0.310n/an/an/an/an/an/an/an/a



Syntex Discovery Research

Curated by PDSP Ki Database




Br J Pharmacol 115: 622-8 (1995)


Article DOI: 10.1111/j.1476-5381.1995.tb14977.x
BindingDB Entry DOI: 10.7270/Q2BR8QP0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
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 0.310n/an/an/an/an/an/an/an/a



Syntex Discovery Research

Curated by PDSP Ki Database




Br J Pharmacol 115: 622-8 (1995)


Article DOI: 10.1111/j.1476-5381.1995.tb14977.x
BindingDB Entry DOI: 10.7270/Q2BR8QP0
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))		BDBM145818
PNG
(US8952177, 174 | US9089569, 174 | US9695149, 174)
Show SMILES Cc1cnc(COc2ccc3nc([C@H]4CCCC[C@H]4C(O)=O)n(Cc4ccc(cc4F)N4CCC(F)CC4)c3c2)c(F)c1 |r|
Show InChI InChI=1S/C33H35F3N4O3/c1-20-14-28(36)30(37-17-20)19-43-24-8-9-29-31(16-24)40(32(38-29)25-4-2-3-5-26(25)33(41)42)18-21-6-7-23(15-27(21)35)39-12-10-22(34)11-13-39/h6-9,14-17,22,25-26H,2-5,10-13,18-19H2,1H3,(H,41,42)/t25-,26+/m0/s1
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 0.340n/an/an/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chai...

US Patent US9695149 (2017)


BindingDB Entry DOI: 10.7270/Q2Q52MSC
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))		BDBM145818
PNG
(US8952177, 174 | US9089569, 174 | US9695149, 174)
Show SMILES Cc1cnc(COc2ccc3nc([C@H]4CCCC[C@H]4C(O)=O)n(Cc4ccc(cc4F)N4CCC(F)CC4)c3c2)c(F)c1 |r|
Show InChI InChI=1S/C33H35F3N4O3/c1-20-14-28(36)30(37-17-20)19-43-24-8-9-29-31(16-24)40(32(38-29)25-4-2-3-5-26(25)33(41)42)18-21-6-7-23(15-27(21)35)39-12-10-22(34)11-13-39/h6-9,14-17,22,25-26H,2-5,10-13,18-19H2,1H3,(H,41,42)/t25-,26+/m0/s1
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 0.340n/an/an/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chai...

US Patent US9089569 (2015)


BindingDB Entry DOI: 10.7270/Q23X85DB
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))		BDBM145818
PNG
(US8952177, 174 | US9089569, 174 | US9695149, 174)
Show SMILES Cc1cnc(COc2ccc3nc([C@H]4CCCC[C@H]4C(O)=O)n(Cc4ccc(cc4F)N4CCC(F)CC4)c3c2)c(F)c1 |r|
Show InChI InChI=1S/C33H35F3N4O3/c1-20-14-28(36)30(37-17-20)19-43-24-8-9-29-31(16-24)40(32(38-29)25-4-2-3-5-26(25)33(41)42)18-21-6-7-23(15-27(21)35)39-12-10-22(34)11-13-39/h6-9,14-17,22,25-26H,2-5,10-13,18-19H2,1H3,(H,41,42)/t25-,26+/m0/s1
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 0.340n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
FLAP-containing membranes were prepared as was a FITC-labeled FLAP modulator (3-(3-(tert-butylthio)-1-(4-chlorobenzyl)-5-(quinolin-2-ylmethoxy)-1H-in...

US Patent US8952177 (2015)


BindingDB Entry DOI: 10.7270/Q2G73CFW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM21395
PNG
(3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
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 0.390n/an/an/an/an/an/an/an/a



Syntex Discovery Research

Curated by PDSP Ki Database




Br J Pharmacol 115: 622-8 (1995)


Article DOI: 10.1111/j.1476-5381.1995.tb14977.x
BindingDB Entry DOI: 10.7270/Q2BR8QP0
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))		BDBM169403
PNG
(US9079866, 808 | US9745328, Compound 808 | US98848...)
Show SMILES Nc1cnc(cn1)-c1ccc(cc1F)-c1cccnc1S(=O)(=O)C1CCCCC1
Show InChI InChI=1S/C21H21FN4O2S/c22-18-11-14(8-9-17(18)19-12-26-20(23)13-25-19)16-7-4-10-24-21(16)29(27,28)15-5-2-1-3-6-15/h4,7-13,15H,1-3,5-6H2,(H2,23,26)
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 0.400n/an/an/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chai...

US Patent US9884878 (2018)


BindingDB Entry DOI: 10.7270/Q2R78H8P
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))		BDBM167060
PNG
(US9073876, 146 | US9732093, Compound 146)
Show SMILES Nc1cnc(cn1)-c1ccc(C2CCC2)c(Oc2cc(N)nc(Cc3ccccc3)n2)c1F
Show InChI InChI=1S/C25H23FN6O/c26-24-18(19-13-30-21(28)14-29-19)10-9-17(16-7-4-8-16)25(24)33-23-12-20(27)31-22(32-23)11-15-5-2-1-3-6-15/h1-3,5-6,9-10,12-14,16H,4,7-8,11H2,(H2,28,30)(H2,27,31,32)
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 0.400n/an/an/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chai...

US Patent US9073876 (2015)


BindingDB Entry DOI: 10.7270/Q28S4NPC
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))		BDBM169403
PNG
(US9079866, 808 | US9745328, Compound 808 | US98848...)
Show SMILES Nc1cnc(cn1)-c1ccc(cc1F)-c1cccnc1S(=O)(=O)C1CCCCC1
Show InChI InChI=1S/C21H21FN4O2S/c22-18-11-14(8-9-17(18)19-12-26-20(23)13-25-19)16-7-4-10-24-21(16)29(27,28)15-5-2-1-3-6-15/h4,7-13,15H,1-3,5-6H2,(H2,23,26)
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 0.400n/an/an/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chai...

US Patent US9079866 (2015)


BindingDB Entry DOI: 10.7270/Q2FF3R3Q
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))		BDBM167060
PNG
(US9073876, 146 | US9732093, Compound 146)
Show SMILES Nc1cnc(cn1)-c1ccc(C2CCC2)c(Oc2cc(N)nc(Cc3ccccc3)n2)c1F
Show InChI InChI=1S/C25H23FN6O/c26-24-18(19-13-30-21(28)14-29-19)10-9-17(16-7-4-8-16)25(24)33-23-12-20(27)31-22(32-23)11-15-5-2-1-3-6-15/h1-3,5-6,9-10,12-14,16H,4,7-8,11H2,(H2,28,30)(H2,27,31,32)
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 0.400n/an/an/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chai...

US Patent US9732093 (2017)


BindingDB Entry DOI: 10.7270/Q2NV9MCX
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))		BDBM169403
PNG
(US9079866, 808 | US9745328, Compound 808 | US98848...)
Show SMILES Nc1cnc(cn1)-c1ccc(cc1F)-c1cccnc1S(=O)(=O)C1CCCCC1
Show InChI InChI=1S/C21H21FN4O2S/c22-18-11-14(8-9-17(18)19-12-26-20(23)13-25-19)16-7-4-10-24-21(16)29(27,28)15-5-2-1-3-6-15/h4,7-13,15H,1-3,5-6H2,(H2,23,26)
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 0.400n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
The FLAP binding assay is performed in HTRF format (homogeneous time resolved fluorescence). FLAP-containing membranes (1 μg/well final for huma...

US Patent US9745328 (2017)


BindingDB Entry DOI: 10.7270/Q2H13446
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))		BDBM167060
PNG
(US9073876, 146 | US9732093, Compound 146)
Show SMILES Nc1cnc(cn1)-c1ccc(C2CCC2)c(Oc2cc(N)nc(Cc3ccccc3)n2)c1F
Show InChI InChI=1S/C25H23FN6O/c26-24-18(19-13-30-21(28)14-29-19)10-9-17(16-7-4-8-16)25(24)33-23-12-20(27)31-22(32-23)11-15-5-2-1-3-6-15/h1-3,5-6,9-10,12-14,16H,4,7-8,11H2,(H2,28,30)(H2,27,31,32)
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 0.400n/an/an/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chai...

US Patent US9732093 (2017)


BindingDB Entry DOI: 10.7270/Q2NV9MCX
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))		BDBM145820
PNG
(US8952177, 176 | US9089569, 176 | US9695149, 176)
Show SMILES Cc1cnc(COc2ccc3nc([C@H]4CCCC[C@H]4C(O)=O)n(Cc4ccc(cc4)N4CCC(F)CC4)c3c2)c(F)c1 |r|
Show InChI InChI=1S/C33H36F2N4O3/c1-21-16-28(35)30(36-18-21)20-42-25-10-11-29-31(17-25)39(32(37-29)26-4-2-3-5-27(26)33(40)41)19-22-6-8-24(9-7-22)38-14-12-23(34)13-15-38/h6-11,16-18,23,26-27H,2-5,12-15,19-20H2,1H3,(H,40,41)/t26-,27+/m0/s1
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 0.420n/an/an/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chai...

US Patent US9695149 (2017)


BindingDB Entry DOI: 10.7270/Q2Q52MSC
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))		BDBM145820
PNG
(US8952177, 176 | US9089569, 176 | US9695149, 176)
Show SMILES Cc1cnc(COc2ccc3nc([C@H]4CCCC[C@H]4C(O)=O)n(Cc4ccc(cc4)N4CCC(F)CC4)c3c2)c(F)c1 |r|
Show InChI InChI=1S/C33H36F2N4O3/c1-21-16-28(35)30(36-18-21)20-42-25-10-11-29-31(17-25)39(32(37-29)26-4-2-3-5-27(26)33(40)41)19-22-6-8-24(9-7-22)38-14-12-23(34)13-15-38/h6-11,16-18,23,26-27H,2-5,12-15,19-20H2,1H3,(H,40,41)/t26-,27+/m0/s1
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 0.420n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
FLAP-containing membranes were prepared as was a FITC-labeled FLAP modulator (3-(3-(tert-butylthio)-1-(4-chlorobenzyl)-5-(quinolin-2-ylmethoxy)-1H-in...

US Patent US8952177 (2015)


BindingDB Entry DOI: 10.7270/Q2G73CFW
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))		BDBM145820
PNG
(US8952177, 176 | US9089569, 176 | US9695149, 176)
Show SMILES Cc1cnc(COc2ccc3nc([C@H]4CCCC[C@H]4C(O)=O)n(Cc4ccc(cc4)N4CCC(F)CC4)c3c2)c(F)c1 |r|
Show InChI InChI=1S/C33H36F2N4O3/c1-21-16-28(35)30(36-18-21)20-42-25-10-11-29-31(17-25)39(32(37-29)26-4-2-3-5-27(26)33(40)41)19-22-6-8-24(9-7-22)38-14-12-23(34)13-15-38/h6-11,16-18,23,26-27H,2-5,12-15,19-20H2,1H3,(H,40,41)/t26-,27+/m0/s1
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 0.420n/an/an/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chai...

US Patent US9089569 (2015)


BindingDB Entry DOI: 10.7270/Q23X85DB
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))		BDBM145785
PNG
(US8952177, 139 | US9089569, 139 | US9695149, 139)
Show SMILES Cc1cnc(COc2ccc3nc([C@H]4CCCC[C@H]4C(O)=O)n(Cc4ccc(cc4)-c4ccc(cc4)C(F)(F)F)c3c2)c(F)c1 |r|
Show InChI InChI=1S/C35H31F4N3O3/c1-21-16-29(36)31(40-18-21)20-45-26-14-15-30-32(17-26)42(33(41-30)27-4-2-3-5-28(27)34(43)44)19-22-6-8-23(9-7-22)24-10-12-25(13-11-24)35(37,38)39/h6-18,27-28H,2-5,19-20H2,1H3,(H,43,44)/t27-,28+/m0/s1
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 0.470n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
FLAP-containing membranes were prepared as was a FITC-labeled FLAP modulator (3-(3-(tert-butylthio)-1-(4-chlorobenzyl)-5-(quinolin-2-ylmethoxy)-1H-in...

US Patent US8952177 (2015)


BindingDB Entry DOI: 10.7270/Q2G73CFW
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))		BDBM145785
PNG
(US8952177, 139 | US9089569, 139 | US9695149, 139)
Show SMILES Cc1cnc(COc2ccc3nc([C@H]4CCCC[C@H]4C(O)=O)n(Cc4ccc(cc4)-c4ccc(cc4)C(F)(F)F)c3c2)c(F)c1 |r|
Show InChI InChI=1S/C35H31F4N3O3/c1-21-16-29(36)31(40-18-21)20-45-26-14-15-30-32(17-26)42(33(41-30)27-4-2-3-5-28(27)34(43)44)19-22-6-8-23(9-7-22)24-10-12-25(13-11-24)35(37,38)39/h6-18,27-28H,2-5,19-20H2,1H3,(H,43,44)/t27-,28+/m0/s1
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 0.470n/an/an/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chai...

US Patent US9695149 (2017)


BindingDB Entry DOI: 10.7270/Q2Q52MSC
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))		BDBM145785
PNG
(US8952177, 139 | US9089569, 139 | US9695149, 139)
Show SMILES Cc1cnc(COc2ccc3nc([C@H]4CCCC[C@H]4C(O)=O)n(Cc4ccc(cc4)-c4ccc(cc4)C(F)(F)F)c3c2)c(F)c1 |r|
Show InChI InChI=1S/C35H31F4N3O3/c1-21-16-29(36)31(40-18-21)20-45-26-14-15-30-32(17-26)42(33(41-30)27-4-2-3-5-28(27)34(43)44)19-22-6-8-23(9-7-22)24-10-12-25(13-11-24)35(37,38)39/h6-18,27-28H,2-5,19-20H2,1H3,(H,43,44)/t27-,28+/m0/s1
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 0.470n/an/an/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chai...

US Patent US9089569 (2015)


BindingDB Entry DOI: 10.7270/Q23X85DB
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50150945
PNG
(CHEBI:81390 | Immepip)
Show SMILES C(C1CCNCC1)c1c[nH]cn1
Show InChI InChI=1S/C9H15N3/c1-3-10-4-2-8(1)5-9-6-11-7-12-9/h6-8,10H,1-5H2,(H,11,12)
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 0.479n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Inhibitory activity measured by [3H]- N alpha- methyl-histamine binding to membranes of SK-N-MC cells expressing the human Histamine H3 receptor

J Med Chem 46: 5445-57 (2003)


Article DOI: 10.1021/jm030905y
BindingDB Entry DOI: 10.7270/Q2FN18X0
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))		BDBM337627
PNG
(5-(4-{2-[(1,1-Dioxidotetrahydra-2H- thiopyran-4-yl...)
Show SMILES Nc1cnc(cn1)-c1ccc(cc1F)-c1ccc(nc1S(=O)(=O)C1CCS(=O)(=O)CC1)C(F)(F)F
Show InChI InChI=1S/C21H18F4N4O4S2/c22-16-9-12(1-2-15(16)17-10-28-19(26)11-27-17)14-3-4-18(21(23,24)25)29-20(14)35(32,33)13-5-7-34(30,31)8-6-13/h1-4,9-11,13H,5-8H2,(H2,26,28)
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 0.5n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
The FLAP binding assay is performed in HTRF format (homogeneous time resolved fluorescence). FLAP-containing membranes (1 μg/well final for huma...

US Patent US9745328 (2017)


BindingDB Entry DOI: 10.7270/Q2H13446
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50044615
PNG
(CHEMBL3329435)
Show SMILES Cc1nc2c(cccc2n1S(=O)(=O)c1ccccc1)N1CCNCC1
Show InChI InChI=1S/C18H20N4O2S/c1-14-20-18-16(21-12-10-19-11-13-21)8-5-9-17(18)22(14)25(23,24)15-6-3-2-4-7-15/h2-9,19H,10-13H2,1H3
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 0.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to 5HT6R (unknown origin)

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02009
BindingDB Entry DOI: 10.7270/Q2JQ14RQ
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))		BDBM167191
PNG
(US9073876, 272 | US9732093, Compound 272)
Show SMILES Nc1cnc(cn1)-c1ccc(C2CCC2)c(Oc2nc(N)c3ccccc3n2)c1F
Show InChI InChI=1S/C22H19FN6O/c23-19-14(17-10-27-18(24)11-26-17)9-8-13(12-4-3-5-12)20(19)30-22-28-16-7-2-1-6-15(16)21(25)29-22/h1-2,6-12H,3-5H2,(H2,24,27)(H2,25,28,29)
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 0.5n/an/an/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chai...

US Patent US9073876 (2015)


BindingDB Entry DOI: 10.7270/Q28S4NPC
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50366495
PNG
((+)butaclamol | CHEMBL1255588)
Show SMILES CC(C)(C)[C@@]1(O)CCN2C[C@@H]3c4ccccc4CCc4cccc([C@H]2C1)c34 |r|
Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m1/s1
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 0.5n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat straitum tissue after 20 mins by scintillation counting

Eur J Med Chem 46: 4474-88 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.022
BindingDB Entry DOI: 10.7270/Q2Z0395D
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))		BDBM167191
PNG
(US9073876, 272 | US9732093, Compound 272)
Show SMILES Nc1cnc(cn1)-c1ccc(C2CCC2)c(Oc2nc(N)c3ccccc3n2)c1F
Show InChI InChI=1S/C22H19FN6O/c23-19-14(17-10-27-18(24)11-26-17)9-8-13(12-4-3-5-12)20(19)30-22-28-16-7-2-1-6-15(16)21(25)29-22/h1-2,6-12H,3-5H2,(H2,24,27)(H2,25,28,29)
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JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chai...

US Patent US9732093 (2017)


BindingDB Entry DOI: 10.7270/Q2NV9MCX
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))		BDBM167191
PNG
(US9073876, 272 | US9732093, Compound 272)
Show SMILES Nc1cnc(cn1)-c1ccc(C2CCC2)c(Oc2nc(N)c3ccccc3n2)c1F
Show InChI InChI=1S/C22H19FN6O/c23-19-14(17-10-27-18(24)11-26-17)9-8-13(12-4-3-5-12)20(19)30-22-28-16-7-2-1-6-15(16)21(25)29-22/h1-2,6-12H,3-5H2,(H2,24,27)(H2,25,28,29)
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JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chai...

US Patent US9732093 (2017)


BindingDB Entry DOI: 10.7270/Q2NV9MCX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50150945
PNG
(CHEBI:81390 | Immepip)
Show SMILES C(C1CCNCC1)c1c[nH]cn1
Show InChI InChI=1S/C9H15N3/c1-3-10-4-2-8(1)5-9-6-11-7-12-9/h6-8,10H,1-5H2,(H,11,12)
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 0.501n/an/an/an/an/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]N-R-methylhistamine binding to SK-N-MC cell membranes expressing human H3 receptor

J Med Chem 48: 2100-7 (2005)


Article DOI: 10.1021/jm049475h
BindingDB Entry DOI: 10.7270/Q28K7CVC
More data for this
Ligand-Target Pair
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