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Compile Data Set for Download or QSAR

Found 2203 hits with Last Name = 'chai' and Initial = 'w'   
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
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50215393
PNG
(141 W94 | 141W94 | AMPRENAVIR | Agenerase | Ampren...)
Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1 |r|
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<0.100n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL




Bioorg Med Chem Lett 8: 3631-6 (1999)


BindingDB Entry DOI: 10.7270/Q2MC8Z5V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22911
PNG
(2-(3H-imidazol-4-yl)ethylsulfanylmethanimidamide |...)
Show SMILES NC(=N)SCCc1cnc[nH]1
Show InChI InChI=1S/C6H10N4S/c7-6(8)11-2-1-5-3-9-4-10-5/h3-4H,1-2H2,(H3,7,8)(H,9,10)
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0.300n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by PDSP Ki Database




Mol Pharmacol 59: 420-6 (2001)


Article DOI: 10.1111/cbdd.12713
BindingDB Entry DOI: 10.7270/Q26Q1VSR
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(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=1/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+/s2
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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
5-lipoxygenase/FLAP


(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=1/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+/s2
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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
5-lipoxygenase-activating protein (FLAP)


(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=1/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+/s2
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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
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22542
PNG
(4-(1H-imidazol-4-ylmethyl)piperidine | 4-(1H-imida...)
Show SMILES C(C1CCNCC1)c1cnc[nH]1
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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0.400n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by PDSP Ki Database




Mol Pharmacol 59: 420-6 (2001)


Article DOI: 10.1111/cbdd.12713
BindingDB Entry DOI: 10.7270/Q26Q1VSR
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(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=1/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+/s2
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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
5-lipoxygenase-activating protein (FLAP)


(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=1/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+/s2
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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
5-lipoxygenase/FLAP


(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=1/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+/s2
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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
5-lipoxygenase/FLAP


(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=1/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+/s2
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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
5-lipoxygenase/FLAP


(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=1/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+/s2
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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
5-lipoxygenase-activating protein (FLAP)


(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=1/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+/s2
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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
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM9235
PNG
((2S)-N-(cyclopentylmethyl)-3-[(3S,5R)-3,5-dibenzyl...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN1[C@@H](Cc2ccccc2)C[C@H](Cc2ccccc2)C1=O)CC1CCCC1 |r|
Show InChI InChI=1S/C34H42N2O5S/c1-41-32-16-18-33(19-17-32)42(39,40)35(23-28-14-8-9-15-28)24-31(37)25-36-30(21-27-12-6-3-7-13-27)22-29(34(36)38)20-26-10-4-2-5-11-26/h2-7,10-13,16-19,28-31,37H,8-9,14-15,20-25H2,1H3/t29-,30-,31+/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Compound was assayed for inhibition against HIV protease activity


Bioorg Med Chem Lett 8: 3637-42 (1999)


BindingDB Entry DOI: 10.7270/Q2GM86FH
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22530
PNG
(N(alpha)-Methylhistamine | N-alpha-methylhistamine...)
Show SMILES CNCCc1cnc[nH]1
Show InChI InChI=1S/C6H11N3/c1-7-3-2-6-4-8-5-9-6/h4-5,7H,2-3H2,1H3,(H,8,9)
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0.5n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by PDSP Ki Database




Mol Pharmacol 59: 420-6 (2001)


Article DOI: 10.1111/cbdd.12713
BindingDB Entry DOI: 10.7270/Q26Q1VSR
More data for this
Ligand-Target Pair
5-lipoxygenase-activating protein (FLAP)


(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=1/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-/s2
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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
5-lipoxygenase/FLAP


(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=1/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-/s2
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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
5-lipoxygenase/FLAP


(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=1/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-/s2
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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 receptor (H3)


(Homo sapiens (Human))
BDBM22541
PNG
(CLOBENPROPIT | Clobenpropit | N''-[(4-chlorophenyl...)
Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)cc1 |w:11.12|
Show InChI InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)
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0.600n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by PDSP Ki Database




Mol Pharmacol 59: 420-6 (2001)


Article DOI: 10.1111/cbdd.12713
BindingDB Entry DOI: 10.7270/Q26Q1VSR
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM577
PNG
((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...)
Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1 |r|
Show InChI InChI=1S/C25H35N3O6S/c1-18(2)15-28(35(31,32)22-10-8-20(26)9-11-22)16-24(29)23(14-19-6-4-3-5-7-19)27-25(30)34-21-12-13-33-17-21/h3-11,18,21,23-24,29H,12-17,26H2,1-2H3,(H,27,30)/t21-,23-,24+/m0/s1
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0.600n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Compound was assayed for inhibition against HIV protease activity


Bioorg Med Chem Lett 8: 3637-42 (1999)


BindingDB Entry DOI: 10.7270/Q2GM86FH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-lipoxygenase/FLAP


(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=1/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+/s2
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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
5-lipoxygenase-activating protein (FLAP)


(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=1/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+/s2
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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
5-lipoxygenase/FLAP


(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=1/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+/s2
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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
5-lipoxygenase/FLAP


(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
5-lipoxygenase-activating protein (FLAP)


(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
5-lipoxygenase/FLAP


(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
5-lipoxygenase/FLAP


(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=1/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+/s2
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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
5-lipoxygenase-activating protein (FLAP)


(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=1/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+/s2
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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
5-lipoxygenase/FLAP


(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=1/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+/s2
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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
Histamine receptor (H3)


(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
Histamine receptor (H3)


(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



The R. W. Johnson Pharmaceutical Research Institute

Curated by PDSP Ki Database




Mol Pharmacol 59: 420-6 (2001)


Article DOI: 10.1111/cbdd.12713
BindingDB Entry DOI: 10.7270/Q26Q1VSR
More data for this
Ligand-Target Pair
5-lipoxygenase-activating protein (FLAP)


(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=1/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+/s2
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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
5-lipoxygenase/FLAP


(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=1/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+/s2
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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
5-lipoxygenase/FLAP


(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=1/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+/s2
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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
5-lipoxygenase/FLAP


(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=1/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+/s2
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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
5-lipoxygenase/FLAP


(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=1/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+/s2
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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 US9089569 (2015)


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


(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=1/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+/s2
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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
5-lipoxygenase-activating protein (FLAP)


(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=1/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+/s2
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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
5-lipoxygenase/FLAP


(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=1/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+/s2
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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
5-lipoxygenase/FLAP


(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=1/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+/s2
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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
5-lipoxygenase/FLAP


(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=1/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-/s2
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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 US9695149 (2017)


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


(Homo sapiens (Human))
BDBM145807
PNG
(US8952177, 163 | US9089569, 163 | US9695149, 163)
Show SMILES Cc1ccc(COc2ccc3nc([C@H]4CCCC[C@H]4C(O)=O)n(Cc4ccc(cc4F)N4CCC(F)(F)C4)c3c2)nc1 |r|
Show InChI InChI=1/C32H33F3N4O3/c1-20-6-8-22(36-16-20)18-42-24-10-11-28-29(15-24)39(30(37-28)25-4-2-3-5-26(25)31(40)41)17-21-7-9-23(14-27(21)33)38-13-12-32(34,35)19-38/h6-11,14-16,25-26H,2-5,12-13,17-19H2,1H3,(H,40,41)/t25-,26+/s2
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0.960n/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-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM145807
PNG
(US8952177, 163 | US9089569, 163 | US9695149, 163)
Show SMILES Cc1ccc(COc2ccc3nc([C@H]4CCCC[C@H]4C(O)=O)n(Cc4ccc(cc4F)N4CCC(F)(F)C4)c3c2)nc1 |r|
Show InChI InChI=1/C32H33F3N4O3/c1-20-6-8-22(36-16-20)18-42-24-10-11-28-29(15-24)39(30(37-28)25-4-2-3-5-26(25)31(40)41)17-21-7-9-23(14-27(21)33)38-13-12-32(34,35)19-38/h6-11,14-16,25-26H,2-5,12-13,17-19H2,1H3,(H,40,41)/t25-,26+/s2
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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 US9695149 (2017)


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


(Homo sapiens (Human))
BDBM145807
PNG
(US8952177, 163 | US9089569, 163 | US9695149, 163)
Show SMILES Cc1ccc(COc2ccc3nc([C@H]4CCCC[C@H]4C(O)=O)n(Cc4ccc(cc4F)N4CCC(F)(F)C4)c3c2)nc1 |r|
Show InChI InChI=1/C32H33F3N4O3/c1-20-6-8-22(36-16-20)18-42-24-10-11-28-29(15-24)39(30(37-28)25-4-2-3-5-26(25)31(40)41)17-21-7-9-23(14-27(21)33)38-13-12-32(34,35)19-38/h6-11,14-16,25-26H,2-5,12-13,17-19H2,1H3,(H,40,41)/t25-,26+/s2
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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 US9089569 (2015)


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


(Homo sapiens (Human))
BDBM145821
PNG
(US8952177, 177 | US9089569, 177 | US9695149, 177)
Show SMILES CC1CCN(CC1)c1ccc(Cn2c(nc3ccc(OCc4ncc(C)cc4F)cc23)[C@@H]2CCCC[C@@H]2C(O)=O)c(F)c1 |r|
Show InChI InChI=1/C34H38F2N4O3/c1-21-11-13-39(14-12-21)24-8-7-23(28(35)16-24)19-40-32-17-25(43-20-31-29(36)15-22(2)18-37-31)9-10-30(32)38-33(40)26-5-3-4-6-27(26)34(41)42/h7-10,15-18,21,26-27H,3-6,11-14,19-20H2,1-2H3,(H,41,42)/t26-,27+/s2
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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 US9695149 (2017)


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


(Homo sapiens (Human))
BDBM145772
PNG
(US8952177, 126 | US9089569, 126 | US9695149, 126)
Show SMILES Cc1ccc(COc2ccc3nc([C@H]4CCCC[C@H]4C(O)=O)n(Cc4c(F)cc(Br)cc4F)c3c2)nc1 |r|
Show InChI InChI=1/C28H26BrF2N3O3/c1-16-6-7-18(32-13-16)15-37-19-8-9-25-26(12-19)34(14-22-23(30)10-17(29)11-24(22)31)27(33-25)20-4-2-3-5-21(20)28(35)36/h6-13,20-21H,2-5,14-15H2,1H3,(H,35,36)/t20-,21+/s2
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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-lipoxygenase-activating protein (FLAP)


(Homo sapiens (Human))
BDBM145771
PNG
(US8952177, 125 | US9089569, 125 | US9695149, 125)
Show SMILES Cc1cnc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(O)=O)n(Cc4ccc(Br)cc4)c3c2)c(F)c1 |r|
Show InChI InChI=1/C28H27BrFN3O3/c1-17-12-23(30)25(31-14-17)16-36-20-10-11-24-26(13-20)33(15-18-6-8-19(29)9-7-18)27(32-24)21-4-2-3-5-22(21)28(34)35/h6-14,21-22H,2-5,15-16H2,1H3,(H,34,35)/t21-,22+/s2
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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-lipoxygenase-activating protein (FLAP)


(Homo sapiens (Human))
BDBM145739
PNG
(US8952177, 93 | US9089569, 93 | US9695149, 93)
Show SMILES Cn1ccc(COc2cc(F)c3nc([C@@H]4CCCC[C@@H]4C(O)=O)n(Cc4ccc(Br)cc4)c3c2)n1 |r|
Show InChI InChI=1/C26H26BrFN4O3/c1-31-11-10-18(30-31)15-35-19-12-22(28)24-23(13-19)32(14-16-6-8-17(27)9-7-16)25(29-24)20-4-2-3-5-21(20)26(33)34/h6-13,20-21H,2-5,14-15H2,1H3,(H,33,34)/t20-,21+/s2
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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-lipoxygenase-activating protein (FLAP)


(Homo sapiens (Human))
BDBM145821
PNG
(US8952177, 177 | US9089569, 177 | US9695149, 177)
Show SMILES CC1CCN(CC1)c1ccc(Cn2c(nc3ccc(OCc4ncc(C)cc4F)cc23)[C@@H]2CCCC[C@@H]2C(O)=O)c(F)c1 |r|
Show InChI InChI=1/C34H38F2N4O3/c1-21-11-13-39(14-12-21)24-8-7-23(28(35)16-24)19-40-32-17-25(43-20-31-29(36)15-22(2)18-37-31)9-10-30(32)38-33(40)26-5-3-4-6-27(26)34(41)42/h7-10,15-18,21,26-27H,3-6,11-14,19-20H2,1-2H3,(H,41,42)/t26-,27+/s2
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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-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM145772
PNG
(US8952177, 126 | US9089569, 126 | US9695149, 126)
Show SMILES Cc1ccc(COc2ccc3nc([C@H]4CCCC[C@H]4C(O)=O)n(Cc4c(F)cc(Br)cc4F)c3c2)nc1 |r|
Show InChI InChI=1/C28H26BrF2N3O3/c1-16-6-7-18(32-13-16)15-37-19-8-9-25-26(12-19)34(14-22-23(30)10-17(29)11-24(22)31)27(33-25)20-4-2-3-5-21(20)28(35)36/h6-13,20-21H,2-5,14-15H2,1H3,(H,35,36)/t20-,21+/s2
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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 US9089569 (2015)


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


(Homo sapiens (Human))
BDBM145771
PNG
(US8952177, 125 | US9089569, 125 | US9695149, 125)
Show SMILES Cc1cnc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(O)=O)n(Cc4ccc(Br)cc4)c3c2)c(F)c1 |r|
Show InChI InChI=1/C28H27BrFN3O3/c1-17-12-23(30)25(31-14-17)16-36-20-10-11-24-26(13-20)33(15-18-6-8-19(29)9-7-18)27(32-24)21-4-2-3-5-22(21)28(34)35/h6-14,21-22H,2-5,15-16H2,1H3,(H,34,35)/t21-,22+/s2
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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 US9089569 (2015)


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