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Compile Data Set for Download or QSAR

Found 11896 hits with Last Name = 'dvorak' and Initial = 'ca'   
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
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
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
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))		BDBM50371662
PNG
(CHEMBL269974)
Show SMILES Cc1ccc(cc1)-c1nc(Cc2ccccc2)nc2CCNCCc12
Show InChI InChI=1S/C22H23N3/c1-16-7-9-18(10-8-16)22-19-11-13-23-14-12-20(19)24-21(25-22)15-17-5-3-2-4-6-17/h2-10,23H,11-15H2,1H3
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 0.400n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in mouse NIH3T3 cells

Bioorg Med Chem Lett 18: 2103-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.090
BindingDB Entry DOI: 10.7270/Q2571CW5
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))		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
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50410342
PNG
(CHEMBL195408)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C#N
Show InChI InChI=1S/C16H18N2O/c1-12-3-2-7-18(12)8-6-15-10-14-9-13(11-17)4-5-16(14)19-15/h4-5,9-10,12H,2-3,6-8H2,1H3/t12-/m1/s1
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 0.447n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Mean binding affinity for human H3 receptor

J Med Chem 48: 2229-38 (2005)


Article DOI: 10.1021/jm049212n
BindingDB Entry DOI: 10.7270/Q2GB258T
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
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 US9089569 (2015)


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


(Homo sapiens (Human))		BDBM50200636
PNG
(1-(4-(4-(piperidin-1-ylmethyl)phenyl)but-3-ynyl)pi...)
Show SMILES C(CN1CCCCC1)C#Cc1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C21H30N2/c1-4-14-22(15-5-1)16-8-3-9-20-10-12-21(13-11-20)19-23-17-6-2-7-18-23/h10-13H,1-2,4-8,14-19H2
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 0.513n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


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

Eur J Med Chem 44: 4098-106 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.049
BindingDB Entry DOI: 10.7270/Q2VH5Q3G
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))		BDBM145770
PNG
(US8952177, 124 | US9089569, 124 | US9695149, 124)
Show SMILES Cc1cnc(COc2ccc3nc([C@H]4CCCC[C@@H]4C(O)=O)n(Cc4c(F)cc(Br)cc4F)c3c2)c(F)c1 |r|
Show InChI InChI=1S/C28H25BrF3N3O3/c1-15-8-23(32)25(33-12-15)14-38-17-6-7-24-26(11-17)35(13-20-21(30)9-16(29)10-22(20)31)27(34-24)18-4-2-3-5-19(18)28(36)37/h6-12,18-19H,2-5,13-14H2,1H3,(H,36,37)/t18-,19-/m0/s1
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 0.520n/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))		BDBM145770
PNG
(US8952177, 124 | US9089569, 124 | US9695149, 124)
Show SMILES Cc1cnc(COc2ccc3nc([C@H]4CCCC[C@@H]4C(O)=O)n(Cc4c(F)cc(Br)cc4F)c3c2)c(F)c1 |r|
Show InChI InChI=1S/C28H25BrF3N3O3/c1-15-8-23(32)25(33-12-15)14-38-17-6-7-24-26(11-17)35(13-20-21(30)9-16(29)10-22(20)31)27(34-24)18-4-2-3-5-19(18)28(36)37/h6-12,18-19H,2-5,13-14H2,1H3,(H,36,37)/t18-,19-/m0/s1
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 0.520n/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))		BDBM145770
PNG
(US8952177, 124 | US9089569, 124 | US9695149, 124)
Show SMILES Cc1cnc(COc2ccc3nc([C@H]4CCCC[C@@H]4C(O)=O)n(Cc4c(F)cc(Br)cc4F)c3c2)c(F)c1 |r|
Show InChI InChI=1S/C28H25BrF3N3O3/c1-15-8-23(32)25(33-12-15)14-38-17-6-7-24-26(11-17)35(13-20-21(30)9-16(29)10-22(20)31)27(34-24)18-4-2-3-5-19(18)28(36)37/h6-12,18-19H,2-5,13-14H2,1H3,(H,36,37)/t18-,19-/m0/s1
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 0.520n/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
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50414797
PNG
(CHEMBL582977)
Show SMILES NC(=O)C1CCN(Cc2cccc(c2)C#CCCN2CCCCC2)CC1
Show InChI InChI=1S/C22H31N3O/c23-22(26)21-10-15-25(16-11-21)18-20-9-6-8-19(17-20)7-2-5-14-24-12-3-1-4-13-24/h6,8-9,17,21H,1,3-5,10-16,18H2,(H2,23,26)
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 0.550n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


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

Eur J Med Chem 44: 4098-106 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.049
BindingDB Entry DOI: 10.7270/Q2VH5Q3G
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50371682
PNG
(CHEMBL270188)
Show SMILES Fc1ccc(cc1)-c1nc(Cc2ccccc2)nc2CCNCCc12
Show InChI InChI=1S/C21H20FN3/c22-17-8-6-16(7-9-17)21-18-10-12-23-13-11-19(18)24-20(25-21)14-15-4-2-1-3-5-15/h1-9,23H,10-14H2
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 0.600n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in mouse NIH3T3 cells

Bioorg Med Chem Lett 18: 2103-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.090
BindingDB Entry DOI: 10.7270/Q2571CW5
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))		BDBM145769
PNG
(US8952177, 123 | US9089569, 123 | US9695149, 123)
Show SMILES Cc1cnc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(O)=O)n(Cc4c(F)cc(Br)cc4F)c3c2)c(F)c1 |r|
Show InChI InChI=1S/C28H25BrF3N3O3/c1-15-8-23(32)25(33-12-15)14-38-17-6-7-24-26(11-17)35(13-20-21(30)9-16(29)10-22(20)31)27(34-24)18-4-2-3-5-19(18)28(36)37/h6-12,18-19H,2-5,13-14H2,1H3,(H,36,37)/t18-,19+/m1/s1
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 0.610n/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))		BDBM145769
PNG
(US8952177, 123 | US9089569, 123 | US9695149, 123)
Show SMILES Cc1cnc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(O)=O)n(Cc4c(F)cc(Br)cc4F)c3c2)c(F)c1 |r|
Show InChI InChI=1S/C28H25BrF3N3O3/c1-15-8-23(32)25(33-12-15)14-38-17-6-7-24-26(11-17)35(13-20-21(30)9-16(29)10-22(20)31)27(34-24)18-4-2-3-5-19(18)28(36)37/h6-12,18-19H,2-5,13-14H2,1H3,(H,36,37)/t18-,19+/m1/s1
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 0.610n/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))		BDBM145769
PNG
(US8952177, 123 | US9089569, 123 | US9695149, 123)
Show SMILES Cc1cnc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(O)=O)n(Cc4c(F)cc(Br)cc4F)c3c2)c(F)c1 |r|
Show InChI InChI=1S/C28H25BrF3N3O3/c1-15-8-23(32)25(33-12-15)14-38-17-6-7-24-26(11-17)35(13-20-21(30)9-16(29)10-22(20)31)27(34-24)18-4-2-3-5-19(18)28(36)37/h6-12,18-19H,2-5,13-14H2,1H3,(H,36,37)/t18-,19+/m1/s1
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 0.610n/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
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50414804
PNG
(CHEMBL574712)
Show SMILES C(CN1CCCCC1)C#Cc1ccc(CN2CCCC2)cc1
Show InChI InChI=1S/C20H28N2/c1-3-13-21(14-4-1)15-5-2-8-19-9-11-20(12-10-19)18-22-16-6-7-17-22/h9-12H,1,3-7,13-18H2
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 0.617n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


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

Eur J Med Chem 44: 4098-106 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.049
BindingDB Entry DOI: 10.7270/Q2VH5Q3G
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50410347
PNG
(CHEMBL194441)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C20H32N2O/c1-17(2)22-14-10-20(11-15-22)23-19-8-6-18(7-9-19)16-21-12-4-3-5-13-21/h6-9,17,20H,3-5,10-16H2,1-2H3
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 0.631n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Mean binding affinity for human H3 receptor

J Med Chem 48: 2229-38 (2005)


Article DOI: 10.1021/jm049212n
BindingDB Entry DOI: 10.7270/Q2GB258T
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))		BDBM145782
PNG
(US8952177, 136 | US9089569, 136 | US9695149, 136)
Show SMILES CCC(CC)(Cc1nc2ccc(OCc3ncc(C)cc3F)cc2n1Cc1ccc(Br)cc1)C(O)=O
Show InChI InChI=1S/C28H29BrFN3O3/c1-4-28(5-2,27(34)35)14-26-32-23-11-10-21(36-17-24-22(30)12-18(3)15-31-24)13-25(23)33(26)16-19-6-8-20(29)9-7-19/h6-13,15H,4-5,14,16-17H2,1-3H3,(H,34,35)
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 0.640n/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))		BDBM145782
PNG
(US8952177, 136 | US9089569, 136 | US9695149, 136)
Show SMILES CCC(CC)(Cc1nc2ccc(OCc3ncc(C)cc3F)cc2n1Cc1ccc(Br)cc1)C(O)=O
Show InChI InChI=1S/C28H29BrFN3O3/c1-4-28(5-2,27(34)35)14-26-32-23-11-10-21(36-17-24-22(30)12-18(3)15-31-24)13-25(23)33(26)16-19-6-8-20(29)9-7-19/h6-13,15H,4-5,14,16-17H2,1-3H3,(H,34,35)
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 0.640n/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))		BDBM145782
PNG
(US8952177, 136 | US9089569, 136 | US9695149, 136)
Show SMILES CCC(CC)(Cc1nc2ccc(OCc3ncc(C)cc3F)cc2n1Cc1ccc(Br)cc1)C(O)=O
Show InChI InChI=1S/C28H29BrFN3O3/c1-4-28(5-2,27(34)35)14-26-32-23-11-10-21(36-17-24-22(30)12-18(3)15-31-24)13-25(23)33(26)16-19-6-8-20(29)9-7-19/h6-13,15H,4-5,14,16-17H2,1-3H3,(H,34,35)
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 0.640n/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))		BDBM145783
PNG
(US8952177, 137 | US9089569, 137 | US9695149, 137)
Show SMILES Cc1cnc(COc2ccc3nc([C@H]4CCCC[C@H]4C(O)=O)n(Cc4c(F)cc(cc4F)-c4ccc(cc4)C(F)(F)F)c3c2)c(F)c1 |r|
Show InChI InChI=1S/C35H29F6N3O3/c1-19-12-29(38)31(42-16-19)18-47-23-10-11-30-32(15-23)44(33(43-30)24-4-2-3-5-25(24)34(45)46)17-26-27(36)13-21(14-28(26)37)20-6-8-22(9-7-20)35(39,40)41/h6-16,24-25H,2-5,17-18H2,1H3,(H,45,46)/t24-,25+/m0/s1
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 0.660n/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))		BDBM145783
PNG
(US8952177, 137 | US9089569, 137 | US9695149, 137)
Show SMILES Cc1cnc(COc2ccc3nc([C@H]4CCCC[C@H]4C(O)=O)n(Cc4c(F)cc(cc4F)-c4ccc(cc4)C(F)(F)F)c3c2)c(F)c1 |r|
Show InChI InChI=1S/C35H29F6N3O3/c1-19-12-29(38)31(42-16-19)18-47-23-10-11-30-32(15-23)44(33(43-30)24-4-2-3-5-25(24)34(45)46)17-26-27(36)13-21(14-28(26)37)20-6-8-22(9-7-20)35(39,40)41/h6-16,24-25H,2-5,17-18H2,1H3,(H,45,46)/t24-,25+/m0/s1
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 0.660n/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))		BDBM145783
PNG
(US8952177, 137 | US9089569, 137 | US9695149, 137)
Show SMILES Cc1cnc(COc2ccc3nc([C@H]4CCCC[C@H]4C(O)=O)n(Cc4c(F)cc(cc4F)-c4ccc(cc4)C(F)(F)F)c3c2)c(F)c1 |r|
Show InChI InChI=1S/C35H29F6N3O3/c1-19-12-29(38)31(42-16-19)18-47-23-10-11-30-32(15-23)44(33(43-30)24-4-2-3-5-25(24)34(45)46)17-26-27(36)13-21(14-28(26)37)20-6-8-22(9-7-20)35(39,40)41/h6-16,24-25H,2-5,17-18H2,1H3,(H,45,46)/t24-,25+/m0/s1
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 0.660n/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))		BDBM50414811
PNG
(CHEMBL574721)
Show SMILES C(CN1CCCC1)C#Cc1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C20H28N2/c1-3-16-22(17-4-1)18-20-11-9-19(10-12-20)8-2-5-13-21-14-6-7-15-21/h9-12H,1,3-7,13-18H2
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 0.676n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


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

Eur J Med Chem 44: 4098-106 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.049
BindingDB Entry DOI: 10.7270/Q2VH5Q3G
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM22904
PNG
((2R)-1-(1H-imidazol-5-yl)propan-2-amine | (R)-alph...)
Show SMILES C[C@@H](N)Cc1cnc[nH]1 |r|
Show InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1
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 0.700n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to the human histamine H3 receptor

J Med Chem 46: 3957-60 (2003)


Article DOI: 10.1021/jm0341047
BindingDB Entry DOI: 10.7270/Q2QJ7J1C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50371669
PNG
(CHEMBL402164)
Show SMILES Fc1ccc(Cc2nc3CCNCCc3c(n2)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C21H19F2N3/c22-16-5-1-14(2-6-16)13-20-25-19-10-12-24-11-9-18(19)21(26-20)15-3-7-17(23)8-4-15/h1-8,24H,9-13H2
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 0.700n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in mouse NIH3T3 cells

Bioorg Med Chem Lett 18: 2103-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.090
BindingDB Entry DOI: 10.7270/Q2571CW5
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50414798
PNG
(CHEMBL575172)
Show SMILES CN1CCN(Cc2cccc(c2)C#CCCN2CCCCC2)CC1
Show InChI InChI=1S/C21H31N3/c1-22-14-16-24(17-15-22)19-21-10-7-9-20(18-21)8-3-6-13-23-11-4-2-5-12-23/h7,9-10,18H,2,4-6,11-17,19H2,1H3
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 0.724n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


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

Eur J Med Chem 44: 4098-106 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.049
BindingDB Entry DOI: 10.7270/Q2VH5Q3G
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))		BDBM145657
PNG
(US8952177, 11 | US9089569, 11 | US9695149, 11)
Show SMILES Cc1ccc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(O)=O)n(Cc4ccc(Br)cc4F)c3c2)nc1 |r|
Show InChI InChI=1S/C28H27BrFN3O3/c1-17-6-9-20(31-14-17)16-36-21-10-11-25-26(13-21)33(15-18-7-8-19(29)12-24(18)30)27(32-25)22-4-2-3-5-23(22)28(34)35/h6-14,22-23H,2-5,15-16H2,1H3,(H,34,35)/t22-,23+/m1/s1
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 0.740n/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))		BDBM145657
PNG
(US8952177, 11 | US9089569, 11 | US9695149, 11)
Show SMILES Cc1ccc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(O)=O)n(Cc4ccc(Br)cc4F)c3c2)nc1 |r|
Show InChI InChI=1S/C28H27BrFN3O3/c1-17-6-9-20(31-14-17)16-36-21-10-11-25-26(13-21)33(15-18-7-8-19(29)12-24(18)30)27(32-25)22-4-2-3-5-23(22)28(34)35/h6-14,22-23H,2-5,15-16H2,1H3,(H,34,35)/t22-,23+/m1/s1
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 0.740n/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))		BDBM145657
PNG
(US8952177, 11 | US9089569, 11 | US9695149, 11)
Show SMILES Cc1ccc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(O)=O)n(Cc4ccc(Br)cc4F)c3c2)nc1 |r|
Show InChI InChI=1S/C28H27BrFN3O3/c1-17-6-9-20(31-14-17)16-36-21-10-11-25-26(13-21)33(15-18-7-8-19(29)12-24(18)30)27(32-25)22-4-2-3-5-23(22)28(34)35/h6-14,22-23H,2-5,15-16H2,1H3,(H,34,35)/t22-,23+/m1/s1
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 0.740n/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
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50410346
PNG
(CHEMBL372471)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc(CN2CCN(C)CC2)cc1
Show InChI InChI=1S/C20H33N3O/c1-17(2)23-10-8-20(9-11-23)24-19-6-4-18(5-7-19)16-22-14-12-21(3)13-15-22/h4-7,17,20H,8-16H2,1-3H3
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 0.741n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Mean binding affinity for human H3 receptor

J Med Chem 48: 2229-38 (2005)


Article DOI: 10.1021/jm049212n
BindingDB Entry DOI: 10.7270/Q2GB258T
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50414800
PNG
(CHEMBL583182)
Show SMILES NC(=O)C1CCN(Cc2ccc(cc2)C#CCCN2CCCCC2)CC1
Show InChI InChI=1S/C22H31N3O/c23-22(26)21-11-16-25(17-12-21)18-20-9-7-19(8-10-20)6-2-5-15-24-13-3-1-4-14-24/h7-10,21H,1,3-5,11-18H2,(H2,23,26)
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 0.759n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


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

Eur J Med Chem 44: 4098-106 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.049
BindingDB Entry DOI: 10.7270/Q2VH5Q3G
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50414792
PNG
(CHEMBL573817)
Show SMILES C(CN1CCCCC1)C#Cc1cccc(CN2CCCCC2)c1
Show InChI InChI=1S/C21H30N2/c1-4-13-22(14-5-1)15-8-3-10-20-11-9-12-21(18-20)19-23-16-6-2-7-17-23/h9,11-12,18H,1-2,4-8,13-17,19H2
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 0.776n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


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

Eur J Med Chem 44: 4098-106 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.049
BindingDB Entry DOI: 10.7270/Q2VH5Q3G
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50371681
PNG
(CHEMBL271418)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc(Cc2ccccc2)nc2CCNCCc12
Show InChI InChI=1S/C22H20F3N3/c23-22(24,25)17-8-6-16(7-9-17)21-18-10-12-26-13-11-19(18)27-20(28-21)14-15-4-2-1-3-5-15/h1-9,26H,10-14H2
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 0.800n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in mouse NIH3T3 cells

Bioorg Med Chem Lett 18: 2103-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.090
BindingDB Entry DOI: 10.7270/Q2571CW5
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))		BDBM145817
PNG
(US8952177, 173 | US8952177, 175 | US9089569, 175 |...)
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+/m1/s1
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 0.820n/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))		BDBM145817
PNG
(US8952177, 173 | US8952177, 175 | US9089569, 175 |...)
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+/m1/s1
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 0.820n/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))		BDBM145817
PNG
(US8952177, 173 | US8952177, 175 | US9089569, 175 |...)
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+/m1/s1
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US Patent
 0.820n/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))		BDBM145816
PNG
(US8952177, 172 | US9089569, 172 | US9695149, 172)
Show SMILES Cc1cnc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(O)=O)n(Cc4c(F)cc(cc4F)N4CCC(F)CC4)c3c2)c(F)c1 |r|
Show InChI InChI=1S/C33H34F4N4O3/c1-19-12-28(37)30(38-16-19)18-44-22-6-7-29-31(15-22)41(32(39-29)23-4-2-3-5-24(23)33(42)43)17-25-26(35)13-21(14-27(25)36)40-10-8-20(34)9-11-40/h6-7,12-16,20,23-24H,2-5,8-11,17-18H2,1H3,(H,42,43)/t23-,24+/m1/s1
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 0.840n/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))		BDBM145816
PNG
(US8952177, 172 | US9089569, 172 | US9695149, 172)
Show SMILES Cc1cnc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(O)=O)n(Cc4c(F)cc(cc4F)N4CCC(F)CC4)c3c2)c(F)c1 |r|
Show InChI InChI=1S/C33H34F4N4O3/c1-19-12-28(37)30(38-16-19)18-44-22-6-7-29-31(15-22)41(32(39-29)23-4-2-3-5-24(23)33(42)43)17-25-26(35)13-21(14-27(25)36)40-10-8-20(34)9-11-40/h6-7,12-16,20,23-24H,2-5,8-11,17-18H2,1H3,(H,42,43)/t23-,24+/m1/s1
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 0.840n/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))		BDBM145816
PNG
(US8952177, 172 | US9089569, 172 | US9695149, 172)
Show SMILES Cc1cnc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(O)=O)n(Cc4c(F)cc(cc4F)N4CCC(F)CC4)c3c2)c(F)c1 |r|
Show InChI InChI=1S/C33H34F4N4O3/c1-19-12-28(37)30(38-16-19)18-44-22-6-7-29-31(15-22)41(32(39-29)23-4-2-3-5-24(23)33(42)43)17-25-26(35)13-21(14-27(25)36)40-10-8-20(34)9-11-40/h6-7,12-16,20,23-24H,2-5,8-11,17-18H2,1H3,(H,42,43)/t23-,24+/m1/s1
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 0.840n/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
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50414813
PNG
(CHEMBL573328)
Show SMILES CC(C)N1CCN(Cc2ccc(cc2)C#CCCN2CCCCC2)CC1
Show InChI InChI=1S/C23H35N3/c1-21(2)26-18-16-25(17-19-26)20-23-11-9-22(10-12-23)8-4-7-15-24-13-5-3-6-14-24/h9-12,21H,3,5-7,13-20H2,1-2H3
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 0.871n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


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

Eur J Med Chem 44: 4098-106 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.049
BindingDB Entry DOI: 10.7270/Q2VH5Q3G
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50146838
PNG
(1-(4-Chloro-phenyl)-4-[4-(1-ethyl-propyl)-piperazi...)
Show SMILES CCC(CC)N1CCN(CC1)C(=O)CCC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H27ClN2O2/c1-3-17(4-2)21-11-13-22(14-12-21)19(24)10-9-18(23)15-5-7-16(20)8-6-15/h5-8,17H,3-4,9-14H2,1-2H3
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 0.871n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Mean binding affinity for human H3 receptor

J Med Chem 48: 2229-38 (2005)


Article DOI: 10.1021/jm049212n
BindingDB Entry DOI: 10.7270/Q2GB258T
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50414799
PNG
(CHEMBL573815)
Show SMILES OC1CCN(Cc2ccc(cc2)C#CCCN2CCCCC2)CC1
Show InChI InChI=1S/C21H30N2O/c24-21-11-16-23(17-12-21)18-20-9-7-19(8-10-20)6-2-5-15-22-13-3-1-4-14-22/h7-10,21,24H,1,3-5,11-18H2
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 0.891n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


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

Eur J Med Chem 44: 4098-106 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.049
BindingDB Entry DOI: 10.7270/Q2VH5Q3G
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50414806
PNG
(CHEMBL572845)
Show SMILES CN(C)Cc1ccc(cc1)C#CCCN1CCCCC1
Show InChI InChI=1S/C18H26N2/c1-19(2)16-18-11-9-17(10-12-18)8-4-7-15-20-13-5-3-6-14-20/h9-12H,3,5-7,13-16H2,1-2H3
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 0.912n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


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

Eur J Med Chem 44: 4098-106 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.049
BindingDB Entry DOI: 10.7270/Q2VH5Q3G
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))		BDBM102301
PNG
(US9695149, 192)
Show SMILES Cc1cnc(COc2ccc3nc(C4CCCC[C@H]4C(O)=O)n(Cc4ccc(cc4F)N4CCC(CC4)C(F)(F)F)c3c2)c(F)c1 |r|
Show InChI InChI=1S/C34H35F5N4O3/c1-20-14-28(36)30(40-17-20)19-46-24-8-9-29-31(16-24)43(32(41-29)25-4-2-3-5-26(25)33(44)45)18-21-6-7-23(15-27(21)35)42-12-10-22(11-13-42)34(37,38)39/h6-9,14-17,22,25-26H,2-5,10-13,18-19H2,1H3,(H,44,45)/t25?,26-/m1/s1
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 0.950n/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
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