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Compile Data Set for Download or QSAR

Found 3089 hits with Last Name = 'mani' and Initial = 'ns'   
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
Androgen Receptor


(Homo sapiens (Human))
BDBM18161
PNG
((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
Show InChI InChI=1/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/s2
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0.200 -57.6n/an/a 5.10n/an/a7.437



Ligand Pharmaceuticals Inc.



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


J Med Chem 49: 6143-6 (2006)


Article DOI: 10.1021/jm060792t
BindingDB Entry DOI: 10.7270/Q26971VV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (Human))
BDBM18161
PNG
((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
Show InChI InChI=1/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/s2
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0.300 -56.5n/an/a 5.70n/an/a7.437



Ligand Pharmaceuticals Inc.



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


J Med Chem 50: 2486-96 (2007)


Article DOI: 10.1021/jm061329j
BindingDB Entry DOI: 10.7270/Q20R9MNK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)


Article DOI: 10.1021/jm060807n
BindingDB Entry DOI: 10.7270/Q2NV9MCX
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(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
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)


Article DOI: 10.1021/jm060807n
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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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 US9732093 (2017)


Article DOI: 10.1021/jm060807n
BindingDB Entry DOI: 10.7270/Q2NV9MCX
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(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
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50028059
PNG
(CHEMBL3338866)
Show SMILES COc1ccc(CNC(=O)c2cc(cnc2-c2ccccn2)-c2cncc(Cl)c2)nc1OC
Show InChI InChI=1S/C24H20ClN5O3/c1-32-21-7-6-18(30-24(21)33-2)14-29-23(31)19-10-16(15-9-17(25)13-26-11-15)12-28-22(19)20-5-3-4-8-27-20/h3-13H,14H2,1-2H3,(H,29,31)
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0.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of (S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-((3H)-1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2 rec...


J Med Chem 58: 5620-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00742
BindingDB Entry DOI: 10.7270/Q2QR4ZWG
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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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 US9732093 (2017)


Article DOI: 10.1021/jm060807n
BindingDB Entry DOI: 10.7270/Q2NV9MCX
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50089369
PNG
(CHEMBL3577959)
Show SMILES FC1CCN(Cc2ccc(cc2)C(=O)N2CCN(CC2)C2CCC2)CC1
Show InChI InChI=1S/C21H30FN3O/c22-19-8-10-23(11-9-19)16-17-4-6-18(7-5-17)21(26)25-14-12-24(13-15-25)20-2-1-3-20/h4-7,19-20H,1-3,8-16H2
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0.700n/an/an/an/an/an/an/an/a



Janssen Pharmaceutical Company

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells after 45 mins


ACS Med Chem Lett 6: 450-4 (2015)


Article DOI: 10.1021/ml5005156
BindingDB Entry DOI: 10.7270/Q22F7Q59
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM167005
PNG
(US9073876, 91 | US9732093, Compound 91)
Show SMILES Nc1cnc(cn1)-c1ccc(C2CCC2)c(Oc2nccc(n2)-c2cccs2)c1F
Show InChI InChI=1S/C22H18FN5OS/c23-20-15(17-11-27-19(24)12-26-17)7-6-14(13-3-1-4-13)21(20)29-22-25-9-8-16(28-22)18-5-2-10-30-18/h2,5-13H,1,3-4H2,(H2,24,27)
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0.800n/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)


Article DOI: 10.1021/jm060807n
BindingDB Entry DOI: 10.7270/Q2NV9MCX
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM167188
PNG
(US9073876, 269 | US9732093, Compound 269)
Show SMILES CNc1nc(C)cc(Oc2c(F)c(ccc2C2CCC2)-c2cnc(N)cn2)n1
Show InChI InChI=1S/C20H21FN6O/c1-11-8-17(27-20(23-2)26-11)28-19-13(12-4-3-5-12)6-7-14(18(19)21)15-9-25-16(22)10-24-15/h6-10,12H,3-5H2,1-2H3,(H2,22,25)(H,23,26,27)
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0.900n/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)


Article DOI: 10.1021/jm060807n
BindingDB Entry DOI: 10.7270/Q2NV9MCX
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM167188
PNG
(US9073876, 269 | US9732093, Compound 269)
Show SMILES CNc1nc(C)cc(Oc2c(F)c(ccc2C2CCC2)-c2cnc(N)cn2)n1
Show InChI InChI=1S/C20H21FN6O/c1-11-8-17(27-20(23-2)26-11)28-19-13(12-4-3-5-12)6-7-14(18(19)21)15-9-25-16(22)10-24-15/h6-10,12H,3-5H2,1-2H3,(H2,22,25)(H,23,26,27)
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0.900n/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
Flap endonuclease 1


(Homo sapiens (Human))
BDBM167188
PNG
(US9073876, 269 | US9732093, Compound 269)
Show SMILES CNc1nc(C)cc(Oc2c(F)c(ccc2C2CCC2)-c2cnc(N)cn2)n1
Show InChI InChI=1S/C20H21FN6O/c1-11-8-17(27-20(23-2)26-11)28-19-13(12-4-3-5-12)6-7-14(18(19)21)15-9-25-16(22)10-24-15/h6-10,12H,3-5H2,1-2H3,(H2,22,25)(H,23,26,27)
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0.900n/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)


Article DOI: 10.1021/jm060807n
BindingDB Entry DOI: 10.7270/Q2NV9MCX
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50089374
PNG
(CHEMBL3577954)
Show SMILES CC(C)N1CCN(CC1)C(=O)c1ccc(CN2CCCCCC2)cc1
Show InChI InChI=1S/C21H33N3O/c1-18(2)23-13-15-24(16-14-23)21(25)20-9-7-19(8-10-20)17-22-11-5-3-4-6-12-22/h7-10,18H,3-6,11-17H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Janssen Pharmaceutical Company

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells after 45 mins


ACS Med Chem Lett 6: 450-4 (2015)


Article DOI: 10.1021/ml5005156
BindingDB Entry DOI: 10.7270/Q22F7Q59
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM167005
PNG
(US9073876, 91 | US9732093, Compound 91)
Show SMILES Nc1cnc(cn1)-c1ccc(C2CCC2)c(Oc2nccc(n2)-c2cccs2)c1F
Show InChI InChI=1S/C22H18FN5OS/c23-20-15(17-11-27-19(24)12-26-17)7-6-14(13-3-1-4-13)21(20)29-22-25-9-8-16(28-22)18-5-2-10-30-18/h2,5-13H,1,3-4H2,(H2,24,27)
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1n/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)


Article DOI: 10.1021/jm060807n
BindingDB Entry DOI: 10.7270/Q2NV9MCX
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM167014
PNG
(US9073876, 100 | US9732093, Compound 100)
Show SMILES COc1nc(N)cc(Oc2c(F)c(ccc2C2CCC2)-c2cnc(N)cn2)n1
Show InChI InChI=1S/C19H19FN6O2/c1-27-19-25-14(21)7-16(26-19)28-18-11(10-3-2-4-10)5-6-12(17(18)20)13-8-24-15(22)9-23-13/h5-10H,2-4H2,1H3,(H2,22,24)(H2,21,25,26)
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1n/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)


Article DOI: 10.1021/jm060807n
BindingDB Entry DOI: 10.7270/Q2NV9MCX
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM167001
PNG
(US9073876, 87 | US9732093, Compound 87)
Show SMILES Nc1cnc(cn1)-c1ccc(C2CCC2)c(Oc2nccc(n2)-c2ccccc2)c1F
Show InChI InChI=1S/C24H20FN5O/c25-22-18(20-13-29-21(26)14-28-20)10-9-17(15-7-4-8-15)23(22)31-24-27-12-11-19(30-24)16-5-2-1-3-6-16/h1-3,5-6,9-15H,4,7-8H2,(H2,26,29)
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1n/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)


Article DOI: 10.1021/jm060807n
BindingDB Entry DOI: 10.7270/Q2NV9MCX
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM167014
PNG
(US9073876, 100 | US9732093, Compound 100)
Show SMILES COc1nc(N)cc(Oc2c(F)c(ccc2C2CCC2)-c2cnc(N)cn2)n1
Show InChI InChI=1S/C19H19FN6O2/c1-27-19-25-14(21)7-16(26-19)28-18-11(10-3-2-4-10)5-6-12(17(18)20)13-8-24-15(22)9-23-13/h5-10H,2-4H2,1H3,(H2,22,24)(H2,21,25,26)
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1n/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
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM167005
PNG
(US9073876, 91 | US9732093, Compound 91)
Show SMILES Nc1cnc(cn1)-c1ccc(C2CCC2)c(Oc2nccc(n2)-c2cccs2)c1F
Show InChI InChI=1S/C22H18FN5OS/c23-20-15(17-11-27-19(24)12-26-17)7-6-14(13-3-1-4-13)21(20)29-22-25-9-8-16(28-22)18-5-2-10-30-18/h2,5-13H,1,3-4H2,(H2,24,27)
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1n/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
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50089375
PNG
(CHEMBL3577953)
Show SMILES CC(C)N1CCN(CC1)C(=O)c1ccc(CN2CCCC2)cc1
Show InChI InChI=1S/C19H29N3O/c1-16(2)21-11-13-22(14-12-21)19(23)18-7-5-17(6-8-18)15-20-9-3-4-10-20/h5-8,16H,3-4,9-15H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Janssen Pharmaceutical Company

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells after 45 mins


ACS Med Chem Lett 6: 450-4 (2015)


Article DOI: 10.1021/ml5005156
BindingDB Entry DOI: 10.7270/Q22F7Q59
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM167001
PNG
(US9073876, 87 | US9732093, Compound 87)
Show SMILES Nc1cnc(cn1)-c1ccc(C2CCC2)c(Oc2nccc(n2)-c2ccccc2)c1F
Show InChI InChI=1S/C24H20FN5O/c25-22-18(20-13-29-21(26)14-28-20)10-9-17(15-7-4-8-15)23(22)31-24-27-12-11-19(30-24)16-5-2-1-3-6-16/h1-3,5-6,9-15H,4,7-8H2,(H2,26,29)
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1n/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
P2X purinoceptor 7 (P2X7)


(Rattus norvegicus (Rat))
BDBM254320
PNG
(US10112937, Example 220 | US10150765, Example 220 ...)
Show SMILES C[C@H]1Cc2c(CN1C(=O)c1cccc(c1F)C(F)(F)F)nnn2-c1ncc(F)cn1
Show InChI InChI=1/C18H13F5N6O/c1-9-5-14-13(26-27-29(14)17-24-6-10(19)7-25-17)8-28(9)16(30)11-3-2-4-12(15(11)20)18(21,22)23/h2-4,6-7,9H,5,8H2,1H3/t9-/s2
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1n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
uman or rat P2X7-1321N1 cells were collected and frozen @−80 C. On the day of the experiment, cell membrane preparations were made according t...


US Patent US10112937 (2018)


Article DOI: 10.1128/AAC.48.12.4643-4649.2004
BindingDB Entry DOI: 10.7270/Q25H7J9N
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM167058
PNG
(US9073876, 144 | US9732093, Compound 144)
Show SMILES Nc1cnc(cn1)-c1ccc(C2CCC2)c(Oc2ccnc(n2)-c2ccccc2)c1F
Show InChI InChI=1S/C24H20FN5O/c25-22-18(19-13-29-20(26)14-28-19)10-9-17(15-7-4-8-15)23(22)31-21-11-12-27-24(30-21)16-5-2-1-3-6-16/h1-3,5-6,9-15H,4,7-8H2,(H2,26,29)
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1.10n/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)


Article DOI: 10.1021/jm060807n
BindingDB Entry DOI: 10.7270/Q2NV9MCX
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM167058
PNG
(US9073876, 144 | US9732093, Compound 144)
Show SMILES Nc1cnc(cn1)-c1ccc(C2CCC2)c(Oc2ccnc(n2)-c2ccccc2)c1F
Show InChI InChI=1S/C24H20FN5O/c25-22-18(19-13-29-20(26)14-28-19)10-9-17(15-7-4-8-15)23(22)31-21-11-12-27-24(30-21)16-5-2-1-3-6-16/h1-3,5-6,9-15H,4,7-8H2,(H2,26,29)
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1.10n/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
Flap endonuclease 1


(Homo sapiens (Human))
BDBM167058
PNG
(US9073876, 144 | US9732093, Compound 144)
Show SMILES Nc1cnc(cn1)-c1ccc(C2CCC2)c(Oc2ccnc(n2)-c2ccccc2)c1F
Show InChI InChI=1S/C24H20FN5O/c25-22-18(19-13-29-20(26)14-28-19)10-9-17(15-7-4-8-15)23(22)31-21-11-12-27-24(30-21)16-5-2-1-3-6-16/h1-3,5-6,9-15H,4,7-8H2,(H2,26,29)
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1.10n/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)


Article DOI: 10.1021/jm060807n
BindingDB Entry DOI: 10.7270/Q2NV9MCX
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM167159
PNG
(US9073876, 241 | US9732093, Compound 241)
Show SMILES Nc1cnc(cn1)-c1ccc(C2CCC2)c(Oc2nccc(n2)N2CCC3(CC2)OCCCO3)c1F
Show InChI InChI=1S/C26H29FN6O3/c27-23-19(20-15-31-21(28)16-30-20)6-5-18(17-3-1-4-17)24(23)36-25-29-10-7-22(32-25)33-11-8-26(9-12-33)34-13-2-14-35-26/h5-7,10,15-17H,1-4,8-9,11-14H2,(H2,28,31)
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1.20n/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)


Article DOI: 10.1021/jm060807n
BindingDB Entry DOI: 10.7270/Q2NV9MCX
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM167014
PNG
(US9073876, 100 | US9732093, Compound 100)
Show SMILES COc1nc(N)cc(Oc2c(F)c(ccc2C2CCC2)-c2cnc(N)cn2)n1
Show InChI InChI=1S/C19H19FN6O2/c1-27-19-25-14(21)7-16(26-19)28-18-11(10-3-2-4-10)5-6-12(17(18)20)13-8-24-15(22)9-23-13/h5-10H,2-4H2,1H3,(H2,22,24)(H2,21,25,26)
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1.20n/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)


Article DOI: 10.1021/jm060807n
BindingDB Entry DOI: 10.7270/Q2NV9MCX
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM167159
PNG
(US9073876, 241 | US9732093, Compound 241)
Show SMILES Nc1cnc(cn1)-c1ccc(C2CCC2)c(Oc2nccc(n2)N2CCC3(CC2)OCCCO3)c1F
Show InChI InChI=1S/C26H29FN6O3/c27-23-19(20-15-31-21(28)16-30-20)6-5-18(17-3-1-4-17)24(23)36-25-29-10-7-22(32-25)33-11-8-26(9-12-33)34-13-2-14-35-26/h5-7,10,15-17H,1-4,8-9,11-14H2,(H2,28,31)
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1.20n/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)


Article DOI: 10.1021/jm060807n
BindingDB Entry DOI: 10.7270/Q2NV9MCX
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18193
PNG
(1-ethyl-9-(trifluoromethyl)-1H,2H,3H,6H,7H-quinoli...)
Show SMILES CCN1CCOc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1S/C14H13F3N2O2/c1-2-19-3-4-21-12-7-10-8(5-11(12)19)9(14(15,16)17)6-13(20)18-10/h5-7H,2-4H2,1H3,(H,18,20)
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1.20 -53.0n/an/a 6.40n/an/a7.437



Ligand Pharmaceuticals Inc.



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


J Med Chem 50: 2486-96 (2007)


Article DOI: 10.1021/jm061329j
BindingDB Entry DOI: 10.7270/Q20R9MNK
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM167159
PNG
(US9073876, 241 | US9732093, Compound 241)
Show SMILES Nc1cnc(cn1)-c1ccc(C2CCC2)c(Oc2nccc(n2)N2CCC3(CC2)OCCCO3)c1F
Show InChI InChI=1S/C26H29FN6O3/c27-23-19(20-15-31-21(28)16-30-20)6-5-18(17-3-1-4-17)24(23)36-25-29-10-7-22(32-25)33-11-8-26(9-12-33)34-13-2-14-35-26/h5-7,10,15-17H,1-4,8-9,11-14H2,(H2,28,31)
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1.20n/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
P2X purinoceptor 7 (P2X7)


(Rattus norvegicus (Rat))
BDBM254320
PNG
(US10112937, Example 220 | US10150765, Example 220 ...)
Show SMILES C[C@H]1Cc2c(CN1C(=O)c1cccc(c1F)C(F)(F)F)nnn2-c1ncc(F)cn1
Show InChI InChI=1/C18H13F5N6O/c1-9-5-14-13(26-27-29(14)17-24-6-10(19)7-25-17)8-28(9)16(30)11-3-2-4-12(15(11)20)18(21,22)23/h2-4,6-7,9H,5,8H2,1H3/t9-/s2
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1.20n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
uman or rat P2X7-1321N1 cells were collected and frozen @−80 C. On the day of the experiment, cell membrane preparations were made according t...


US Patent US10112937 (2018)


Article DOI: 10.1128/AAC.48.12.4643-4649.2004
BindingDB Entry DOI: 10.7270/Q25H7J9N
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM167180
PNG
(US9073876, 261 | US9732093, Compound 261)
Show SMILES CC(C)CNc1nccc(Oc2c(F)c(ccc2C2CCC2)-c2cnc(N)cn2)n1
Show InChI InChI=1S/C22H25FN6O/c1-13(2)10-28-22-25-9-8-19(29-22)30-21-15(14-4-3-5-14)6-7-16(20(21)23)17-11-27-18(24)12-26-17/h6-9,11-14H,3-5,10H2,1-2H3,(H2,24,27)(H,25,28,29)
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1.30n/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)


Article DOI: 10.1021/jm060807n
BindingDB Entry DOI: 10.7270/Q2NV9MCX
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM167054
PNG
(US9073876, 140 | US9732093, Compound 140)
Show SMILES Cc1nc(N)cc(Oc2c(F)c(ccc2C2CCC2)-c2cnc(N)cn2)n1
Show InChI InChI=1S/C19H19FN6O/c1-10-25-15(21)7-17(26-10)27-19-12(11-3-2-4-11)5-6-13(18(19)20)14-8-24-16(22)9-23-14/h5-9,11H,2-4H2,1H3,(H2,22,24)(H2,21,25,26)
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1.30n/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)


Article DOI: 10.1021/jm060807n
BindingDB Entry DOI: 10.7270/Q2NV9MCX
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM167049
PNG
(US9073876, 135 | US9732093, Compound 135)
Show SMILES CC(C)c1nccc(Oc2c(F)c(ccc2C2CCC2)-c2cnc(N)cn2)n1
Show InChI InChI=1S/C21H22FN5O/c1-12(2)21-24-9-8-18(27-21)28-20-14(13-4-3-5-13)6-7-15(19(20)22)16-10-26-17(23)11-25-16/h6-13H,3-5H2,1-2H3,(H2,23,26)
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1.30n/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)


Article DOI: 10.1021/jm060807n
BindingDB Entry DOI: 10.7270/Q2NV9MCX
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM335640
PNG
(US9732093, Compound 149 | tert-Butyl [2-({2-[3-(5-...)
Show SMILES CC(C)(C)OC(=O)NCCNc1cc(Oc2c(F)c(ccc2C2CCC2)-c2cnc(N)cn2)ncn1
Show InChI InChI=1S/C25H30FN7O3/c1-25(2,3)36-24(34)29-10-9-28-20-11-21(33-14-32-20)35-23-16(15-5-4-6-15)7-8-17(22(23)26)18-12-31-19(27)13-30-18/h7-8,11-15H,4-6,9-10H2,1-3H3,(H2,27,31)(H,29,34)(H,28,32,33)
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1.30n/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)


Article DOI: 10.1021/jm060807n
BindingDB Entry DOI: 10.7270/Q2NV9MCX
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM167063
PNG
(US9073876, 149)
Show SMILES CC(C)(C)OC(=O)NCCNc1ccnc(Oc2c(F)c(ccc2C2CCC2)-c2cnc(N)cn2)n1
Show InChI InChI=1S/C25H30FN7O3/c1-25(2,3)36-24(34)30-12-11-28-20-9-10-29-23(33-20)35-22-16(15-5-4-6-15)7-8-17(21(22)26)18-13-32-19(27)14-31-18/h7-10,13-15H,4-6,11-12H2,1-3H3,(H2,27,32)(H,30,34)(H,28,29,33)
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1.30n/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
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM167054
PNG
(US9073876, 140 | US9732093, Compound 140)
Show SMILES Cc1nc(N)cc(Oc2c(F)c(ccc2C2CCC2)-c2cnc(N)cn2)n1
Show InChI InChI=1S/C19H19FN6O/c1-10-25-15(21)7-17(26-10)27-19-12(11-3-2-4-11)5-6-13(18(19)20)14-8-24-16(22)9-23-14/h5-9,11H,2-4H2,1H3,(H2,22,24)(H2,21,25,26)
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1.30n/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
Flap endonuclease 1


(Homo sapiens (Human))
BDBM167054
PNG
(US9073876, 140 | US9732093, Compound 140)
Show SMILES Cc1nc(N)cc(Oc2c(F)c(ccc2C2CCC2)-c2cnc(N)cn2)n1
Show InChI InChI=1S/C19H19FN6O/c1-10-25-15(21)7-17(26-10)27-19-12(11-3-2-4-11)5-6-13(18(19)20)14-8-24-16(22)9-23-14/h5-9,11H,2-4H2,1H3,(H2,22,24)(H2,21,25,26)
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1.30n/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)


Article DOI: 10.1021/jm060807n
BindingDB Entry DOI: 10.7270/Q2NV9MCX
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM167049
PNG
(US9073876, 135 | US9732093, Compound 135)
Show SMILES CC(C)c1nccc(Oc2c(F)c(ccc2C2CCC2)-c2cnc(N)cn2)n1
Show InChI InChI=1S/C21H22FN5O/c1-12(2)21-24-9-8-18(27-21)28-20-14(13-4-3-5-13)6-7-15(19(20)22)16-10-26-17(23)11-25-16/h6-13H,3-5H2,1-2H3,(H2,23,26)
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1.30n/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
Flap endonuclease 1


(Homo sapiens (Human))
BDBM167049
PNG
(US9073876, 135 | US9732093, Compound 135)
Show SMILES CC(C)c1nccc(Oc2c(F)c(ccc2C2CCC2)-c2cnc(N)cn2)n1
Show InChI InChI=1S/C21H22FN5O/c1-12(2)21-24-9-8-18(27-21)28-20-14(13-4-3-5-13)6-7-15(19(20)22)16-10-26-17(23)11-25-16/h6-13H,3-5H2,1-2H3,(H2,23,26)
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1.30n/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)


Article DOI: 10.1021/jm060807n
BindingDB Entry DOI: 10.7270/Q2NV9MCX
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM167180
PNG
(US9073876, 261 | US9732093, Compound 261)
Show SMILES CC(C)CNc1nccc(Oc2c(F)c(ccc2C2CCC2)-c2cnc(N)cn2)n1
Show InChI InChI=1S/C22H25FN6O/c1-13(2)10-28-22-25-9-8-19(29-22)30-21-15(14-4-3-5-14)6-7-16(20(21)23)17-11-27-18(24)12-26-17/h6-9,11-14H,3-5,10H2,1-2H3,(H2,24,27)(H,25,28,29)
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1.30n/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
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50089372
PNG
(CHEMBL3577956)
Show SMILES O=C(N1CCN(CC1)C1CCC1)c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C20H29N3O2/c24-20(23-10-8-22(9-11-23)19-2-1-3-19)18-6-4-17(5-7-18)16-21-12-14-25-15-13-21/h4-7,19H,1-3,8-16H2
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1.30n/an/an/an/an/an/an/an/a



Janssen Pharmaceutical Company

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells after 45 mins


ACS Med Chem Lett 6: 450-4 (2015)


Article DOI: 10.1021/ml5005156
BindingDB Entry DOI: 10.7270/Q22F7Q59
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50346208
PNG
((1-isopropylpiperidin-4-yl)(4-(piperidin-1-ylmethy...)
Show SMILES CC(C)N1CCN(CC1)C(=O)c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C20H31N3O/c1-17(2)22-12-14-23(15-13-22)20(24)19-8-6-18(7-9-19)16-21-10-4-3-5-11-21/h6-9,17H,3-5,10-16H2,1-2H3
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1.30n/an/an/an/an/an/an/an/a



Janssen Pharmaceutical Company

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells after 45 mins


ACS Med Chem Lett 6: 450-4 (2015)


Article DOI: 10.1021/ml5005156
BindingDB Entry DOI: 10.7270/Q22F7Q59
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM335640
PNG
(US9732093, Compound 149 | tert-Butyl [2-({2-[3-(5-...)
Show SMILES CC(C)(C)OC(=O)NCCNc1cc(Oc2c(F)c(ccc2C2CCC2)-c2cnc(N)cn2)ncn1
Show InChI InChI=1S/C25H30FN7O3/c1-25(2,3)36-24(34)29-10-9-28-20-11-21(33-14-32-20)35-23-16(15-5-4-6-15)7-8-17(22(23)26)18-12-31-19(27)13-30-18/h7-8,11-15H,4-6,9-10H2,1-3H3,(H2,27,31)(H,29,34)(H,28,32,33)
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1.30n/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)


Article DOI: 10.1021/jm060807n
BindingDB Entry DOI: 10.7270/Q2NV9MCX
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM167144
PNG
(US9073876, 226 | US9732093, Compound 226)
Show SMILES Nc1ccnc(Oc2c(F)c(ccc2C2CCC2)-c2cnc3NCCOc3c2)n1
Show InChI InChI=1S/C21H20FN5O2/c22-18-14(13-10-16-20(26-11-13)24-8-9-28-16)4-5-15(12-2-1-3-12)19(18)29-21-25-7-6-17(23)27-21/h4-7,10-12H,1-3,8-9H2,(H,24,26)(H2,23,25,27)
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1.40n/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)


Article DOI: 10.1021/jm060807n
BindingDB Entry DOI: 10.7270/Q2NV9MCX
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM167144
PNG
(US9073876, 226 | US9732093, Compound 226)
Show SMILES Nc1ccnc(Oc2c(F)c(ccc2C2CCC2)-c2cnc3NCCOc3c2)n1
Show InChI InChI=1S/C21H20FN5O2/c22-18-14(13-10-16-20(26-11-13)24-8-9-28-16)4-5-15(12-2-1-3-12)19(18)29-21-25-7-6-17(23)27-21/h4-7,10-12H,1-3,8-9H2,(H,24,26)(H2,23,25,27)
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1.40n/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)


Article DOI: 10.1021/jm060807n
BindingDB Entry DOI: 10.7270/Q2NV9MCX
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM167144
PNG
(US9073876, 226 | US9732093, Compound 226)
Show SMILES Nc1ccnc(Oc2c(F)c(ccc2C2CCC2)-c2cnc3NCCOc3c2)n1
Show InChI InChI=1S/C21H20FN5O2/c22-18-14(13-10-16-20(26-11-13)24-8-9-28-16)4-5-15(12-2-1-3-12)19(18)29-21-25-7-6-17(23)27-21/h4-7,10-12H,1-3,8-9H2,(H,24,26)(H2,23,25,27)
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1.40n/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
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50089370
PNG
(CHEMBL3577958)
Show SMILES CC(C)N1CCN(CC1)C(=O)c1ccc(CN2CCC(F)CC2)cc1
Show InChI InChI=1S/C20H30FN3O/c1-16(2)23-11-13-24(14-12-23)20(25)18-5-3-17(4-6-18)15-22-9-7-19(21)8-10-22/h3-6,16,19H,7-15H2,1-2H3
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1.5n/an/an/an/an/an/an/an/a



Janssen Pharmaceutical Company

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells after 45 mins


ACS Med Chem Lett 6: 450-4 (2015)


Article DOI: 10.1021/ml5005156
BindingDB Entry DOI: 10.7270/Q22F7Q59
More data for this
Ligand-Target Pair
P2X purinoceptor 7 (P2X7)


(Rattus norvegicus (Rat))
BDBM254247
PNG
(US10112937, Example 133 | US10150765, Example 133 ...)
Show SMILES C[C@H]1N(CCc2c1nnn2-c1cc[nH]n1)C(=O)c1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1/C17H14ClF3N6O/c1-9-15-12(27(25-24-15)13-5-7-22-23-13)6-8-26(9)16(28)10-3-2-4-11(14(10)18)17(19,20)21/h2-5,7,9H,6,8H2,1H3,(H,22,23)/t9-/s2
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1.60n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
uman or rat P2X7-1321N1 cells were collected and frozen @−80 C. On the day of the experiment, cell membrane preparations were made according t...


US Patent US10112937 (2018)


Article DOI: 10.1128/AAC.48.12.4643-4649.2004
BindingDB Entry DOI: 10.7270/Q25H7J9N
More data for this
Ligand-Target Pair
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