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PubMed code 25671290

Compile data set for download or QSAR
Found 106 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078118
PNG
(CHEMBL3417524)
Show SMILES CN(C)C(=O)Cn1cc(cn1)-c1nc(no1)[C@](C)(C1CC1)c1ccc(cc1)-c1ccc(N)nc1
Show InChI InChI=1S/C25H27N7O2/c1-25(20-9-10-20,19-7-4-16(5-8-19)17-6-11-21(26)27-12-17)24-29-23(34-30-24)18-13-28-32(14-18)15-22(33)31(2)3/h4-8,11-14,20H,9-10,15H2,1-3H3,(H2,26,27)/t25-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078123
PNG
(CHEMBL3417526)
Show SMILES CN(C)C(=O)Cn1cc(cn1)-c1nc(no1)[C@](C)(C1CC1)c1ccc(cc1)-c1cnc(N)cn1
Show InChI InChI=1S/C24H26N8O2/c1-24(18-8-9-18,17-6-4-15(5-7-17)19-11-27-20(25)12-26-19)23-29-22(34-30-23)16-10-28-32(13-16)14-21(33)31(2)3/h4-7,10-13,18H,8-9,14H2,1-3H3,(H2,25,27)/t24-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078080
PNG
(CHEMBL3417520)
Show SMILES Cn1cc(cn1)-c1nc(no1)[C@](C)(C1CC1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C21H21N7O/c1-21(17-7-8-17,19-26-18(29-27-19)15-11-25-28(2)12-15)16-5-3-13(4-6-16)14-9-23-20(22)24-10-14/h3-6,9-12,17H,7-8H2,1-2H3,(H2,22,23,24)/t21-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078053
PNG
(CHEMBL3417414)
Show SMILES Nc1ncc(cn1)-c1ccc(cc1)C1(CCC1)c1noc(n1)-c1ccccc1
Show InChI InChI=1S/C22H19N5O/c23-21-24-13-17(14-25-21)15-7-9-18(10-8-15)22(11-4-12-22)20-26-19(28-27-20)16-5-2-1-3-6-16/h1-3,5-10,13-14H,4,11-12H2,(H2,23,24,25)
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n/an/a 1.40n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078078
PNG
(CHEMBL3417518)
Show SMILES CC(C)[C@@](C)(c1noc(n1)-c1cnn(C)c1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C21H23N7O/c1-13(2)21(3,19-26-18(29-27-19)16-11-25-28(4)12-16)17-7-5-14(6-8-17)15-9-23-20(22)24-10-15/h5-13H,1-4H3,(H2,22,23,24)/t21-/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078119
PNG
(CHEMBL3417525)
Show SMILES CN(C)C(=O)Cn1cc(cn1)-c1nc(no1)[C@](C)(C1CC1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C24H26N8O2/c1-24(19-8-9-19,18-6-4-15(5-7-18)16-10-26-23(25)27-11-16)22-29-21(34-30-22)17-12-28-32(13-17)14-20(33)31(2)3/h4-7,10-13,19H,8-9,14H2,1-3H3,(H2,25,26,27)/t24-/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078035
PNG
(CHEMBL3417429)
Show SMILES Cn1cc(cn1)-c1nc(no1)C1(CCC1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C20H19N7O/c1-27-12-15(11-24-27)17-25-18(26-28-17)20(7-2-8-20)16-5-3-13(4-6-16)14-9-22-19(21)23-10-14/h3-6,9-12H,2,7-8H2,1H3,(H2,21,22,23)
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n/an/a 1.90n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078077
PNG
(CHEMBL3417517)
Show SMILES CC(C)C(C)(c1noc(n1)-c1cnn(C)c1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C21H23N7O/c1-13(2)21(3,19-26-18(29-27-19)16-11-25-28(4)12-16)17-7-5-14(6-8-17)15-9-23-20(22)24-10-15/h5-13H,1-4H3,(H2,22,23,24)
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n/an/a 2n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078146
PNG
(CHEMBL3417531)
Show SMILES CC(C)(O)Cn1cc(cn1)-c1nc(no1)[C@](C)(C1CC1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C24H27N7O2/c1-23(2,32)14-31-13-17(12-28-31)20-29-21(30-33-20)24(3,19-8-9-19)18-6-4-15(5-7-18)16-10-26-22(25)27-11-16/h4-7,10-13,19,32H,8-9,14H2,1-3H3,(H2,25,26,27)/t24-/m0/s1
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n/an/a 2.10n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078052
PNG
(CHEMBL3417415)
Show SMILES Nc1ncc(cn1)-c1ccc(cc1)C1(CCC1)c1noc(n1)-c1cccnc1
Show InChI InChI=1S/C21H18N6O/c22-20-24-12-16(13-25-20)14-4-6-17(7-5-14)21(8-2-9-21)19-26-18(28-27-19)15-3-1-10-23-11-15/h1,3-7,10-13H,2,8-9H2,(H2,22,24,25)
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n/an/a 2.20n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078036
PNG
(CHEMBL3417428)
Show SMILES Nc1ncc(cn1)-c1ccc(cc1)C1(CCC1)c1noc(n1)-c1cn[nH]c1
Show InChI InChI=1S/C19H17N7O/c20-18-21-8-13(9-22-18)12-2-4-15(5-3-12)19(6-1-7-19)17-25-16(27-26-17)14-10-23-24-11-14/h2-5,8-11H,1,6-7H2,(H,23,24)(H2,20,21,22)
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n/an/a 2.30n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078038
PNG
(CHEMBL3417427)
Show SMILES Nc1ncc(cn1)-c1ccc(cc1)C1(CCC1)c1noc(n1)-c1cc[nH]n1
Show InChI InChI=1S/C19H17N7O/c20-18-21-10-13(11-22-18)12-2-4-14(5-3-12)19(7-1-8-19)17-24-16(27-26-17)15-6-9-23-25-15/h2-6,9-11H,1,7-8H2,(H,23,25)(H2,20,21,22)
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n/an/a 2.40n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078040
PNG
(CHEMBL3417425)
Show SMILES Nc1ncc(cn1)-c1ccc(cc1)C1(CCC1)c1noc(n1)-c1cscn1
Show InChI InChI=1S/C19H16N6OS/c20-18-21-8-13(9-22-18)12-2-4-14(5-3-12)19(6-1-7-19)17-24-16(26-25-17)15-10-27-11-23-15/h2-5,8-11H,1,6-7H2,(H2,20,21,22)
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n/an/a 2.40n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078033
PNG
(CHEMBL3417431)
Show SMILES COCCn1cc(cn1)-c1nc(no1)C1(CCC1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C22H23N7O2/c1-30-10-9-29-14-17(13-26-29)19-27-20(28-31-19)22(7-2-8-22)18-5-3-15(4-6-18)16-11-24-21(23)25-12-16/h3-6,11-14H,2,7-10H2,1H3,(H2,23,24,25)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078043
PNG
(CHEMBL3417422)
Show SMILES Nc1ncc(cn1)-c1ccc(cc1)C1(CCC1)c1noc(n1)-c1c[nH]cn1
Show InChI InChI=1S/C19H17N7O/c20-18-22-8-13(9-23-18)12-2-4-14(5-3-12)19(6-1-7-19)17-25-16(27-26-17)15-10-21-11-24-15/h2-5,8-11H,1,6-7H2,(H,21,24)(H2,20,22,23)
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n/an/a 2.5n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078031
PNG
(CHEMBL3417508)
Show SMILES NCCn1cc(cn1)-c1nc(no1)C1(CCC1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C21H22N8O/c22-8-9-29-13-16(12-26-29)18-27-19(28-30-18)21(6-1-7-21)17-4-2-14(3-5-17)15-10-24-20(23)25-11-15/h2-5,10-13H,1,6-9,22H2,(H2,23,24,25)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078115
PNG
(CHEMBL3417522)
Show SMILES Cn1cc(cn1)-c1nc(no1)[C@](C)(C1CCC1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C22H23N7O/c1-22(17-4-3-5-17,20-27-19(30-28-20)16-12-26-29(2)13-16)18-8-6-14(7-9-18)15-10-24-21(23)25-11-15/h6-13,17H,3-5H2,1-2H3,(H2,23,24,25)/t22-/m1/s1
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078141
PNG
(CHEMBL3417527)
Show SMILES CNc1ncc(cn1)-c1ccc(cc1)[C@@](C)(C1CC1)c1noc(n1)-c1cnn(CC(=O)N(C)C)c1
Show InChI InChI=1S/C25H28N8O2/c1-25(20-9-10-20,19-7-5-16(6-8-19)17-11-27-24(26-2)28-12-17)23-30-22(35-31-23)18-13-29-33(14-18)15-21(34)32(3)4/h5-8,11-14,20H,9-10,15H2,1-4H3,(H,26,27,28)/t25-/m0/s1
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078045
PNG
(CHEMBL3417421)
Show SMILES Nc1ncc(cn1)-c1ccc(cc1)C1(CCC1)c1noc(n1)-c1ccc[nH]c1=O
Show InChI InChI=1S/C21H18N6O2/c22-20-24-11-14(12-25-20)13-4-6-15(7-5-13)21(8-2-9-21)19-26-18(29-27-19)16-3-1-10-23-17(16)28/h1,3-7,10-12H,2,8-9H2,(H,23,28)(H2,22,24,25)
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n/an/a 2.90n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078145
PNG
(CHEMBL3417530)
Show SMILES CN(C)CCn1cc(cn1)-c1nc(no1)[C@](C)(C1CC1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C24H28N8O/c1-24(20-8-9-20,19-6-4-16(5-7-19)17-12-26-23(25)27-13-17)22-29-21(33-30-22)18-14-28-32(15-18)11-10-31(2)3/h4-7,12-15,20H,8-11H2,1-3H3,(H2,25,26,27)/t24-/m0/s1
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n/an/a 3.10n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078060
PNG
(CHEMBL3417511)
Show SMILES CC(C)(O)Cn1cc(cn1)-c1nc(no1)C1(CCC1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C23H25N7O2/c1-22(2,31)14-30-13-17(12-27-30)19-28-20(29-32-19)23(8-3-9-23)18-6-4-15(5-7-18)16-10-25-21(24)26-11-16/h4-7,10-13,31H,3,8-9,14H2,1-2H3,(H2,24,25,26)
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n/an/a 3.5n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078059
PNG
(CHEMBL3417510)
Show SMILES CN(C)C(=O)Cn1cc(cn1)-c1nc(no1)C1(CCC1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C23H24N8O2/c1-30(2)19(32)14-31-13-17(12-27-31)20-28-21(29-33-20)23(8-3-9-23)18-6-4-15(5-7-18)16-10-25-22(24)26-11-16/h4-7,10-13H,3,8-9,14H2,1-2H3,(H2,24,25,26)
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n/an/a 3.60n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078058
PNG
(CHEMBL3417509)
Show SMILES CN(C)CCn1cc(cn1)-c1nc(no1)C1(CCC1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C23H26N8O/c1-30(2)10-11-31-15-18(14-27-31)20-28-21(29-32-20)23(8-3-9-23)19-6-4-16(5-7-19)17-12-25-22(24)26-13-17/h4-7,12-15H,3,8-11H2,1-2H3,(H2,24,25,26)
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n/an/a 3.60n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078042
PNG
(CHEMBL3417423)
Show SMILES Nc1ncc(cn1)-c1ccc(cc1)C1(CCC1)c1noc(n1)-c1c[nH]nn1
Show InChI InChI=1S/C18H16N8O/c19-17-20-8-12(9-21-17)11-2-4-13(5-3-11)18(6-1-7-18)16-23-15(27-25-16)14-10-22-26-24-14/h2-5,8-10H,1,6-7H2,(H2,19,20,21)(H,22,24,26)
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n/an/a 4.70n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078050
PNG
(CHEMBL3417417)
Show SMILES Nc1ncc(cn1)-c1ccc(cc1)C1(CCC1)c1noc(n1)-c1cnccn1
Show InChI InChI=1S/C20H17N7O/c21-19-24-10-14(11-25-19)13-2-4-15(5-3-13)20(6-1-7-20)18-26-17(28-27-18)16-12-22-8-9-23-16/h2-5,8-12H,1,6-7H2,(H2,21,24,25)
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n/an/a 5.70n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078049
PNG
(CHEMBL3417418)
Show SMILES Nc1ncc(cn1)-c1ccc(cc1)C1(CCC1)c1noc(n1)-c1cncnc1
Show InChI InChI=1S/C20H17N7O/c21-19-24-10-14(11-25-19)13-2-4-16(5-3-13)20(6-1-7-20)18-26-17(28-27-18)15-8-22-12-23-9-15/h2-5,8-12H,1,6-7H2,(H2,21,24,25)
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n/an/a 6n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078071
PNG
(CHEMBL3417516)
Show SMILES CC(C)C(c1noc(n1)-c1cnn(C)c1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C20H21N7O/c1-12(2)17(18-25-19(28-26-18)16-10-24-27(3)11-16)14-6-4-13(5-7-14)15-8-22-20(21)23-9-15/h4-12,17H,1-3H3,(H2,21,22,23)
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n/an/a 6.20n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078051
PNG
(CHEMBL3417416)
Show SMILES Nc1ncc(cn1)-c1ccc(cc1)C1(CCC1)c1noc(n1)-c1ccnnc1
Show InChI InChI=1S/C20H17N7O/c21-19-22-10-15(11-23-19)13-2-4-16(5-3-13)20(7-1-8-20)18-26-17(28-27-18)14-6-9-24-25-12-14/h2-6,9-12H,1,7-8H2,(H2,21,22,23)
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n/an/a 6.20n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078068
PNG
(CHEMBL3417513)
Show SMILES Cn1cc(cn1)-c1nc(no1)C(C)(C)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C19H19N7O/c1-19(2,17-24-16(27-25-17)14-10-23-26(3)11-14)15-6-4-12(5-7-15)13-8-21-18(20)22-9-13/h4-11H,1-3H3,(H2,20,21,22)
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n/an/a 6.70n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078079
PNG
(CHEMBL3417519)
Show SMILES CC(C)[C@](C)(c1noc(n1)-c1cnn(C)c1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C21H23N7O/c1-13(2)21(3,19-26-18(29-27-19)16-11-25-28(4)12-16)17-7-5-14(6-8-17)15-9-23-20(22)24-10-15/h5-13H,1-4H3,(H2,22,23,24)/t21-/m0/s1
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n/an/a 7.70n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078039
PNG
(CHEMBL3417426)
Show SMILES Nc1ncc(cn1)-c1ccc(cc1)C1(CCC1)c1noc(n1)-c1cocn1
Show InChI InChI=1S/C19H16N6O2/c20-18-21-8-13(9-22-18)12-2-4-14(5-3-12)19(6-1-7-19)17-24-16(27-25-17)15-10-26-11-23-15/h2-5,8-11H,1,6-7H2,(H2,20,21,22)
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n/an/a 8.10n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078047
PNG
(CHEMBL3417419)
Show SMILES Nc1ncc(cn1)-c1ccc(cc1)C1(CCC1)c1noc(n1)-c1cccnn1
Show InChI InChI=1S/C20H17N7O/c21-19-22-11-14(12-23-19)13-4-6-15(7-5-13)20(8-2-9-20)18-25-17(28-27-18)16-3-1-10-24-26-16/h1,3-7,10-12H,2,8-9H2,(H2,21,22,23)
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n/an/a 8.5n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078055
PNG
(CHEMBL3417412)
Show SMILES CCNc1nc(no1)C1(CCC1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C18H20N6O/c1-2-20-17-23-15(24-25-17)18(8-3-9-18)14-6-4-12(5-7-14)13-10-21-16(19)22-11-13/h4-7,10-11H,2-3,8-9H2,1H3,(H2,19,21,22)(H,20,23,24)
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n/an/a 11n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078041
PNG
(CHEMBL3417424)
Show SMILES Nc1ncc(cn1)-c1ccc(cc1)C1(CCC1)c1noc(n1)-c1nc[nH]n1
Show InChI InChI=1S/C18H16N8O/c19-17-20-8-12(9-21-17)11-2-4-13(5-3-11)18(6-1-7-18)16-24-15(27-26-16)14-22-10-23-25-14/h2-5,8-10H,1,6-7H2,(H2,19,20,21)(H,22,23,25)
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n/an/a 13n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078046
PNG
(CHEMBL3417420)
Show SMILES Nc1ncc(cn1)-c1ccc(cc1)C1(CCC1)c1noc(n1)-c1ccncn1
Show InChI InChI=1S/C20H17N7O/c21-19-23-10-14(11-24-19)13-2-4-15(5-3-13)20(7-1-8-20)18-26-17(28-27-18)16-6-9-22-12-25-16/h2-6,9-12H,1,7-8H2,(H2,21,23,24)
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n/an/a 14n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078145
PNG
(CHEMBL3417530)
Show SMILES CN(C)CCn1cc(cn1)-c1nc(no1)[C@](C)(C1CC1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C24H28N8O/c1-24(20-8-9-20,19-6-4-16(5-7-19)17-12-26-23(25)27-13-17)22-29-21(33-30-22)18-14-28-32(15-18)11-10-31(2)3/h4-7,12-15,20H,8-11H2,1-3H3,(H2,25,26,27)/t24-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as inhibition of LTB4 synthesis preincubated for 15 mins followed by calcimyci...


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078080
PNG
(CHEMBL3417520)
Show SMILES Cn1cc(cn1)-c1nc(no1)[C@](C)(C1CC1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C21H21N7O/c1-21(17-7-8-17,19-26-18(29-27-19)15-11-25-28(2)12-15)16-5-3-13(4-6-16)14-9-23-20(22)24-10-14/h3-6,9-12,17H,7-8H2,1-2H3,(H2,22,23,24)/t21-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as inhibition of LTB4 synthesis preincubated for 15 mins followed by calcimyci...


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078081
PNG
(CHEMBL3417521)
Show SMILES Cn1cc(cn1)-c1nc(no1)[C@@](C)(C1CC1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C21H21N7O/c1-21(17-7-8-17,19-26-18(29-27-19)15-11-25-28(2)12-15)16-5-3-13(4-6-16)14-9-23-20(22)24-10-14/h3-6,9-12,17H,7-8H2,1-2H3,(H2,22,23,24)/t21-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078034
PNG
(CHEMBL3417430)
Show SMILES Nc1ncc(cn1)-c1ccc(cc1)C1(CCC1)c1noc(n1)-c1cnn(CC(O)=O)c1
Show InChI InChI=1S/C21H19N7O3/c22-20-23-8-14(9-24-20)13-2-4-16(5-3-13)21(6-1-7-21)19-26-18(31-27-19)15-10-25-28(11-15)12-17(29)30/h2-5,8-11H,1,6-7,12H2,(H,29,30)(H2,22,23,24)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078146
PNG
(CHEMBL3417531)
Show SMILES CC(C)(O)Cn1cc(cn1)-c1nc(no1)[C@](C)(C1CC1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C24H27N7O2/c1-23(2,32)14-31-13-17(12-28-31)20-29-21(30-33-20)24(3,19-8-9-19)18-6-4-15(5-7-18)16-10-26-22(25)27-11-16/h4-7,10-13,19,32H,8-9,14H2,1-3H3,(H2,25,26,27)/t24-/m0/s1
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as inhibition of LTB4 synthesis preincubated for 15 mins followed by calcimyci...


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078057
PNG
(CHEMBL3417411)
Show SMILES Nc1nc(no1)C1(CCC1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C16H16N6O/c17-14-19-8-11(9-20-14)10-2-4-12(5-3-10)16(6-1-7-16)13-21-15(18)23-22-13/h2-5,8-9H,1,6-7H2,(H2,17,19,20)(H2,18,21,22)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078141
PNG
(CHEMBL3417527)
Show SMILES CNc1ncc(cn1)-c1ccc(cc1)[C@@](C)(C1CC1)c1noc(n1)-c1cnn(CC(=O)N(C)C)c1
Show InChI InChI=1S/C25H28N8O2/c1-25(20-9-10-20,19-7-5-16(6-8-19)17-11-27-24(26-2)28-12-17)23-30-22(35-31-23)18-13-29-33(14-18)15-21(34)32(3)4/h5-8,11-14,20H,9-10,15H2,1-4H3,(H,26,27,28)/t25-/m0/s1
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as inhibition of LTB4 synthesis preincubated for 15 mins followed by calcimyci...


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078078
PNG
(CHEMBL3417518)
Show SMILES CC(C)[C@@](C)(c1noc(n1)-c1cnn(C)c1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C21H23N7O/c1-13(2)21(3,19-26-18(29-27-19)16-11-25-28(4)12-16)17-7-5-14(6-8-17)15-9-23-20(22)24-10-15/h5-13H,1-4H3,(H2,22,23,24)/t21-/m1/s1
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as inhibition of LTB4 synthesis preincubated for 15 mins followed by calcimyci...


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078070
PNG
(CHEMBL3417515)
Show SMILES Cn1cc(cn1)-c1nc(no1)C1(CC(C)(C)C1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C22H23N7O/c1-21(2)12-22(13-21,19-27-18(30-28-19)16-10-26-29(3)11-16)17-6-4-14(5-7-17)15-8-24-20(23)25-9-15/h4-11H,12-13H2,1-3H3,(H2,23,24,25)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078035
PNG
(CHEMBL3417429)
Show SMILES Cn1cc(cn1)-c1nc(no1)C1(CCC1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C20H19N7O/c1-27-12-15(11-24-27)17-25-18(26-28-17)20(7-2-8-20)16-5-3-13(4-6-16)14-9-22-19(21)23-10-14/h3-6,9-12H,2,7-8H2,1H3,(H2,21,22,23)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as inhibition of LTB4 synthesis preincubated for 15 mins followed by calcimyci...


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078119
PNG
(CHEMBL3417525)
Show SMILES CN(C)C(=O)Cn1cc(cn1)-c1nc(no1)[C@](C)(C1CC1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C24H26N8O2/c1-24(19-8-9-19,18-6-4-15(5-7-18)16-10-26-23(25)27-11-16)22-29-21(34-30-22)17-12-28-32(13-17)14-20(33)31(2)3/h4-7,10-13,19H,8-9,14H2,1-3H3,(H2,25,26,27)/t24-/m0/s1
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as inhibition of LTB4 synthesis preincubated for 15 mins followed by calcimyci...


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078077
PNG
(CHEMBL3417517)
Show SMILES CC(C)C(C)(c1noc(n1)-c1cnn(C)c1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C21H23N7O/c1-13(2)21(3,19-26-18(29-27-19)16-11-25-28(4)12-16)17-7-5-14(6-8-17)15-9-23-20(22)24-10-15/h5-13H,1-4H3,(H2,22,23,24)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as inhibition of LTB4 synthesis preincubated for 15 mins followed by calcimyci...


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078058
PNG
(CHEMBL3417509)
Show SMILES CN(C)CCn1cc(cn1)-c1nc(no1)C1(CCC1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C23H26N8O/c1-30(2)10-11-31-15-18(14-27-31)20-28-21(29-32-20)23(8-3-9-23)19-6-4-16(5-7-19)17-12-25-22(24)26-13-17/h4-7,12-15H,3,8-11H2,1-2H3,(H2,24,25,26)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as inhibition of LTB4 synthesis preincubated for 15 mins followed by calcimyci...


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078033
PNG
(CHEMBL3417431)
Show SMILES COCCn1cc(cn1)-c1nc(no1)C1(CCC1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C22H23N7O2/c1-30-10-9-29-14-17(13-26-29)19-27-20(28-31-19)22(7-2-8-22)18-5-3-15(4-6-18)16-11-24-21(23)25-12-16/h3-6,11-14H,2,7-10H2,1H3,(H2,23,24,25)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as inhibition of LTB4 synthesis preincubated for 15 mins followed by calcimyci...


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078118
PNG
(CHEMBL3417524)
Show SMILES CN(C)C(=O)Cn1cc(cn1)-c1nc(no1)[C@](C)(C1CC1)c1ccc(cc1)-c1ccc(N)nc1
Show InChI InChI=1S/C25H27N7O2/c1-25(20-9-10-20,19-7-4-16(5-8-19)17-6-11-21(26)27-12-17)24-29-23(34-30-24)18-13-28-32(14-18)15-22(33)31(2)3/h4-8,11-14,20H,9-10,15H2,1-3H3,(H2,26,27)/t25-/m0/s1
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as inhibition of LTB4 synthesis preincubated for 15 mins followed by calcimyci...


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078060
PNG
(CHEMBL3417511)
Show SMILES CC(C)(O)Cn1cc(cn1)-c1nc(no1)C1(CCC1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C23H25N7O2/c1-22(2,31)14-30-13-17(12-27-30)19-28-20(29-32-19)23(8-3-9-23)18-6-4-15(5-7-18)16-10-25-21(24)26-11-16/h4-7,10-13,31H,3,8-9,14H2,1-2H3,(H2,24,25,26)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as inhibition of LTB4 synthesis preincubated for 15 mins followed by calcimyci...


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078123
PNG
(CHEMBL3417526)
Show SMILES CN(C)C(=O)Cn1cc(cn1)-c1nc(no1)[C@](C)(C1CC1)c1ccc(cc1)-c1cnc(N)cn1
Show InChI InChI=1S/C24H26N8O2/c1-24(18-8-9-18,17-6-4-15(5-7-17)19-11-27-20(25)12-26-19)23-29-22(34-30-23)16-10-28-32(13-16)14-21(33)31(2)3/h4-7,10-13,18H,8-9,14H2,1-3H3,(H2,25,27)/t24-/m0/s1
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as inhibition of LTB4 synthesis preincubated for 15 mins followed by calcimyci...


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078059
PNG
(CHEMBL3417510)
Show SMILES CN(C)C(=O)Cn1cc(cn1)-c1nc(no1)C1(CCC1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C23H24N8O2/c1-30(2)19(32)14-31-13-17(12-27-31)20-28-21(29-33-20)23(8-3-9-23)18-6-4-15(5-7-18)16-10-25-22(24)26-11-16/h4-7,10-13H,3,8-9,14H2,1-2H3,(H2,24,25,26)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as inhibition of LTB4 synthesis preincubated for 15 mins followed by calcimyci...


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078115
PNG
(CHEMBL3417522)
Show SMILES Cn1cc(cn1)-c1nc(no1)[C@](C)(C1CCC1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C22H23N7O/c1-22(17-4-3-5-17,20-27-19(30-28-20)16-12-26-29(2)13-16)18-8-6-14(7-9-18)15-10-24-21(23)25-11-15/h6-13,17H,3-5H2,1-2H3,(H2,23,24,25)/t22-/m1/s1
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as inhibition of LTB4 synthesis preincubated for 15 mins followed by calcimyci...


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078068
PNG
(CHEMBL3417513)
Show SMILES Cn1cc(cn1)-c1nc(no1)C(C)(C)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C19H19N7O/c1-19(2,17-24-16(27-25-17)14-10-23-26(3)11-14)15-6-4-12(5-7-15)13-8-21-18(20)22-9-13/h4-11H,1-3H3,(H2,20,21,22)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as inhibition of LTB4 synthesis preincubated for 15 mins followed by calcimyci...


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078069
PNG
(CHEMBL3417514)
Show SMILES Cn1cc(cn1)-c1nc(no1)C1(CC1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C19H17N7O/c1-26-11-14(10-23-26)16-24-17(25-27-16)19(6-7-19)15-4-2-12(3-5-15)13-8-21-18(20)22-9-13/h2-5,8-11H,6-7H2,1H3,(H2,20,21,22)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078036
PNG
(CHEMBL3417428)
Show SMILES Nc1ncc(cn1)-c1ccc(cc1)C1(CCC1)c1noc(n1)-c1cn[nH]c1
Show InChI InChI=1S/C19H17N7O/c20-18-21-8-13(9-22-18)12-2-4-15(5-3-12)19(6-1-7-19)17-25-16(27-26-17)14-10-23-24-11-14/h2-5,8-11H,1,6-7H2,(H,23,24)(H2,20,21,22)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as inhibition of LTB4 synthesis preincubated for 15 mins followed by calcimyci...


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078116
PNG
(CHEMBL3417523)
Show SMILES Cn1cc(cn1)-c1nc(no1)[C@@](C)(C1CCC1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C22H23N7O/c1-22(17-4-3-5-17,20-27-19(30-28-20)16-12-26-29(2)13-16)18-8-6-14(7-9-18)15-10-24-21(23)25-11-15/h6-13,17H,3-5H2,1-2H3,(H2,23,24,25)/t22-/m0/s1
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078038
PNG
(CHEMBL3417427)
Show SMILES Nc1ncc(cn1)-c1ccc(cc1)C1(CCC1)c1noc(n1)-c1cc[nH]n1
Show InChI InChI=1S/C19H17N7O/c20-18-21-10-13(11-22-18)12-2-4-14(5-3-12)19(7-1-8-19)17-24-16(27-26-17)15-6-9-23-25-15/h2-6,9-11H,1,7-8H2,(H,23,25)(H2,20,21,22)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as inhibition of LTB4 synthesis preincubated for 15 mins followed by calcimyci...


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078071
PNG
(CHEMBL3417516)
Show SMILES CC(C)C(c1noc(n1)-c1cnn(C)c1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C20H21N7O/c1-12(2)17(18-25-19(28-26-18)16-10-24-27(3)11-16)14-6-4-13(5-7-14)15-8-22-20(21)23-9-15/h4-12,17H,1-3H3,(H2,21,22,23)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as inhibition of LTB4 synthesis preincubated for 15 mins followed by calcimyci...


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078040
PNG
(CHEMBL3417425)
Show SMILES Nc1ncc(cn1)-c1ccc(cc1)C1(CCC1)c1noc(n1)-c1cscn1
Show InChI InChI=1S/C19H16N6OS/c20-18-21-8-13(9-22-18)12-2-4-14(5-3-12)19(6-1-7-19)17-24-16(26-25-17)15-10-27-11-23-15/h2-5,8-11H,1,6-7H2,(H2,20,21,22)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as inhibition of LTB4 synthesis preincubated for 15 mins followed by calcimyci...


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078051
PNG
(CHEMBL3417416)
Show SMILES Nc1ncc(cn1)-c1ccc(cc1)C1(CCC1)c1noc(n1)-c1ccnnc1
Show InChI InChI=1S/C20H17N7O/c21-19-22-10-15(11-23-19)13-2-4-16(5-3-13)20(7-1-8-20)18-26-17(28-27-18)14-6-9-24-25-12-14/h2-6,9-12H,1,7-8H2,(H2,21,22,23)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as inhibition of LTB4 synthesis preincubated for 15 mins followed by calcimyci...


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078031
PNG
(CHEMBL3417508)
Show SMILES NCCn1cc(cn1)-c1nc(no1)C1(CCC1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C21H22N8O/c22-8-9-29-13-16(12-26-29)18-27-19(28-30-18)21(6-1-7-21)17-4-2-14(3-5-17)15-10-24-20(23)25-11-15/h2-5,10-13H,1,6-9,22H2,(H2,23,24,25)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as inhibition of LTB4 synthesis preincubated for 15 mins followed by calcimyci...


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078052
PNG
(CHEMBL3417415)
Show SMILES Nc1ncc(cn1)-c1ccc(cc1)C1(CCC1)c1noc(n1)-c1cccnc1
Show InChI InChI=1S/C21H18N6O/c22-20-24-12-16(13-25-20)14-4-6-17(7-5-14)21(8-2-9-21)19-26-18(28-27-19)15-3-1-10-23-11-15/h1,3-7,10-13H,2,8-9H2,(H2,22,24,25)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as inhibition of LTB4 synthesis preincubated for 15 mins followed by calcimyci...


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078043
PNG
(CHEMBL3417422)
Show SMILES Nc1ncc(cn1)-c1ccc(cc1)C1(CCC1)c1noc(n1)-c1c[nH]cn1
Show InChI InChI=1S/C19H17N7O/c20-18-22-8-13(9-23-18)12-2-4-14(5-3-12)19(6-1-7-19)17-25-16(27-26-17)15-10-21-11-24-15/h2-5,8-11H,1,6-7H2,(H,21,24)(H2,20,22,23)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as inhibition of LTB4 synthesis preincubated for 15 mins followed by calcimyci...


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078039
PNG
(CHEMBL3417426)
Show SMILES Nc1ncc(cn1)-c1ccc(cc1)C1(CCC1)c1noc(n1)-c1cocn1
Show InChI InChI=1S/C19H16N6O2/c20-18-21-8-13(9-22-18)12-2-4-14(5-3-12)19(6-1-7-19)17-24-16(27-25-17)15-10-26-11-23-15/h2-5,8-11H,1,6-7H2,(H2,20,21,22)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as inhibition of LTB4 synthesis preincubated for 15 mins followed by calcimyci...


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078054
PNG
(CHEMBL3417413)
Show SMILES CS(=O)(=O)Nc1nc(no1)C1(CCC1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C17H18N6O3S/c1-27(24,25)23-16-21-14(22-26-16)17(7-2-8-17)13-5-3-11(4-6-13)12-9-19-15(18)20-10-12/h3-6,9-10H,2,7-8H2,1H3,(H2,18,19,20)(H,21,22,23)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078049
PNG
(CHEMBL3417418)
Show SMILES Nc1ncc(cn1)-c1ccc(cc1)C1(CCC1)c1noc(n1)-c1cncnc1
Show InChI InChI=1S/C20H17N7O/c21-19-24-10-14(11-25-19)13-2-4-16(5-3-13)20(6-1-7-20)18-26-17(28-27-18)15-8-22-12-23-9-15/h2-5,8-12H,1,6-7H2,(H2,21,24,25)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as inhibition of LTB4 synthesis preincubated for 15 mins followed by calcimyci...


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078081
PNG
(CHEMBL3417521)
Show SMILES Cn1cc(cn1)-c1nc(no1)[C@@](C)(C1CC1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C21H21N7O/c1-21(17-7-8-17,19-26-18(29-27-19)15-11-25-28(2)12-15)16-5-3-13(4-6-16)14-9-23-20(22)24-10-14/h3-6,9-12,17H,7-8H2,1-2H3,(H2,22,23,24)/t21-/m1/s1
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as inhibition of LTB4 synthesis preincubated for 15 mins followed by calcimyci...


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078079
PNG
(CHEMBL3417519)
Show SMILES CC(C)[C@](C)(c1noc(n1)-c1cnn(C)c1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C21H23N7O/c1-13(2)21(3,19-26-18(29-27-19)16-11-25-28(4)12-16)17-7-5-14(6-8-17)15-9-23-20(22)24-10-15/h5-13H,1-4H3,(H2,22,23,24)/t21-/m0/s1
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as inhibition of LTB4 synthesis preincubated for 15 mins followed by calcimyci...


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078050
PNG
(CHEMBL3417417)
Show SMILES Nc1ncc(cn1)-c1ccc(cc1)C1(CCC1)c1noc(n1)-c1cnccn1
Show InChI InChI=1S/C20H17N7O/c21-19-24-10-14(11-25-19)13-2-4-15(5-3-13)20(6-1-7-20)18-26-17(28-27-18)16-12-22-8-9-23-16/h2-5,8-12H,1,6-7H2,(H2,21,24,25)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as inhibition of LTB4 synthesis preincubated for 15 mins followed by calcimyci...


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078142
PNG
(CHEMBL3417528)
Show SMILES CCNc1ncc(cn1)-c1ccc(cc1)C(C)(C1CC1)c1noc(n1)-c1cnn(CC(=O)N(C)C)c1
Show InChI InChI=1S/C26H30N8O2/c1-5-27-25-28-12-18(13-29-25)17-6-8-20(9-7-17)26(2,21-10-11-21)24-31-23(36-32-24)19-14-30-34(15-19)16-22(35)33(3)4/h6-9,12-15,21H,5,10-11,16H2,1-4H3,(H,27,28,29)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078047
PNG
(CHEMBL3417419)
Show SMILES Nc1ncc(cn1)-c1ccc(cc1)C1(CCC1)c1noc(n1)-c1cccnn1
Show InChI InChI=1S/C20H17N7O/c21-19-22-11-14(12-23-19)13-4-6-15(7-5-13)20(8-2-9-20)18-25-17(28-27-18)16-3-1-10-24-26-16/h1,3-7,10-12H,2,8-9H2,(H2,21,22,23)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as inhibition of LTB4 synthesis preincubated for 15 mins followed by calcimyci...


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078057
PNG
(CHEMBL3417411)
Show SMILES Nc1nc(no1)C1(CCC1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C16H16N6O/c17-14-19-8-11(9-20-14)10-2-4-12(5-3-10)16(6-1-7-16)13-21-15(18)23-22-13/h2-5,8-9H,1,6-7H2,(H2,17,19,20)(H2,18,21,22)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as inhibition of LTB4 synthesis preincubated for 15 mins followed by calcimyci...


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078055
PNG
(CHEMBL3417412)
Show SMILES CCNc1nc(no1)C1(CCC1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C18H20N6O/c1-2-20-17-23-15(24-25-17)18(8-3-9-18)14-6-4-12(5-7-14)13-10-21-16(19)22-11-13/h4-7,10-11H,2-3,8-9H2,1H3,(H2,19,21,22)(H,20,23,24)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as inhibition of LTB4 synthesis preincubated for 15 mins followed by calcimyci...


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078053
PNG
(CHEMBL3417414)
Show SMILES Nc1ncc(cn1)-c1ccc(cc1)C1(CCC1)c1noc(n1)-c1ccccc1
Show InChI InChI=1S/C22H19N5O/c23-21-24-13-17(14-25-21)15-7-9-18(10-8-15)22(11-4-12-22)20-26-19(28-27-20)16-5-2-1-3-6-16/h1-3,5-10,13-14H,4,11-12H2,(H2,23,24,25)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as inhibition of LTB4 synthesis preincubated for 15 mins followed by calcimyci...


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078046
PNG
(CHEMBL3417420)
Show SMILES Nc1ncc(cn1)-c1ccc(cc1)C1(CCC1)c1noc(n1)-c1ccncn1
Show InChI InChI=1S/C20H17N7O/c21-19-23-10-14(11-24-19)13-2-4-15(5-3-13)20(7-1-8-20)18-26-17(28-27-18)16-6-9-22-12-25-16/h2-6,9-12H,1,7-8H2,(H2,21,23,24)
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n/an/a 820n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as inhibition of LTB4 synthesis preincubated for 15 mins followed by calcimyci...


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078142
PNG
(CHEMBL3417528)
Show SMILES CCNc1ncc(cn1)-c1ccc(cc1)C(C)(C1CC1)c1noc(n1)-c1cnn(CC(=O)N(C)C)c1
Show InChI InChI=1S/C26H30N8O2/c1-5-27-25-28-12-18(13-29-25)17-6-8-20(9-7-17)26(2,21-10-11-21)24-31-23(36-32-24)19-14-30-34(15-19)16-22(35)33(3)4/h6-9,12-15,21H,5,10-11,16H2,1-4H3,(H,27,28,29)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as inhibition of LTB4 synthesis preincubated for 15 mins followed by calcimyci...


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078144
PNG
(CHEMBL3417529)
Show SMILES CC(C)Nc1ncc(cn1)-c1ccc(cc1)[C@@](C)(C1CC1)c1noc(n1)-c1cnn(CC(=O)N(C)C)c1
Show InChI InChI=1S/C27H32N8O2/c1-17(2)31-26-28-12-19(13-29-26)18-6-8-21(9-7-18)27(3,22-10-11-22)25-32-24(37-33-25)20-14-30-35(15-20)16-23(36)34(4)5/h6-9,12-15,17,22H,10-11,16H2,1-5H3,(H,28,29,31)/t27-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078067
PNG
(CHEMBL3417512)
Show SMILES Cn1cc(cn1)-c1nc(Cc2ccc(cc2)-c2cnc(N)nc2)no1
Show InChI InChI=1S/C17H15N7O/c1-24-10-14(9-21-24)16-22-15(23-25-16)6-11-2-4-12(5-3-11)13-7-19-17(18)20-8-13/h2-5,7-10H,6H2,1H3,(H2,18,19,20)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Mus musculus)
BDBM50078146
PNG
(CHEMBL3417531)
Show SMILES CC(C)(O)Cn1cc(cn1)-c1nc(no1)[C@](C)(C1CC1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C24H27N7O2/c1-23(2,32)14-31-13-17(12-28-31)20-29-21(30-33-20)24(3,19-8-9-19)18-6-4-15(5-7-18)16-10-26-22(25)27-11-16/h4-7,10-13,19,32H,8-9,14H2,1-3H3,(H2,25,26,27)/t24-/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in calcimycin-stimulated mouse whole blood assessed as inhibition of LTB4 synthesis preincubated for 15 mins followed by calcimyci...


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078070
PNG
(CHEMBL3417515)
Show SMILES Cn1cc(cn1)-c1nc(no1)C1(CC(C)(C)C1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C22H23N7O/c1-21(2)12-22(13-21,19-27-18(30-28-19)16-10-26-29(3)11-16)17-6-4-14(5-7-17)15-8-24-20(23)25-9-15/h4-11H,12-13H2,1-3H3,(H2,23,24,25)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as inhibition of LTB4 synthesis preincubated for 15 mins followed by calcimyci...


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078042
PNG
(CHEMBL3417423)
Show SMILES Nc1ncc(cn1)-c1ccc(cc1)C1(CCC1)c1noc(n1)-c1c[nH]nn1
Show InChI InChI=1S/C18H16N8O/c19-17-20-8-12(9-21-17)11-2-4-13(5-3-11)18(6-1-7-18)16-23-15(27-25-16)14-10-22-26-24-14/h2-5,8-10H,1,6-7H2,(H2,19,20,21)(H,22,24,26)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as inhibition of LTB4 synthesis preincubated for 15 mins followed by calcimyci...


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078069
PNG
(CHEMBL3417514)
Show SMILES Cn1cc(cn1)-c1nc(no1)C1(CC1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C19H17N7O/c1-26-11-14(10-23-26)16-24-17(25-27-16)19(6-7-19)15-4-2-12(3-5-15)13-8-21-18(20)22-9-13/h2-5,8-11H,6-7H2,1H3,(H2,20,21,22)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as inhibition of LTB4 synthesis preincubated for 15 mins followed by calcimyci...


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078041
PNG
(CHEMBL3417424)
Show SMILES Nc1ncc(cn1)-c1ccc(cc1)C1(CCC1)c1noc(n1)-c1nc[nH]n1
Show InChI InChI=1S/C18H16N8O/c19-17-20-8-12(9-21-17)11-2-4-13(5-3-11)18(6-1-7-18)16-24-15(27-26-16)14-22-10-23-25-14/h2-5,8-10H,1,6-7H2,(H2,19,20,21)(H,22,23,25)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as inhibition of LTB4 synthesis preincubated for 15 mins followed by calcimyci...


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50078060
PNG
(CHEMBL3417511)
Show SMILES CC(C)(O)Cn1cc(cn1)-c1nc(no1)C1(CCC1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C23H25N7O2/c1-22(2,31)14-30-13-17(12-27-30)19-28-20(29-32-19)23(8-3-9-23)18-6-4-15(5-7-18)16-10-25-21(24)26-11-16/h4-7,10-13,31H,3,8-9,14H2,1-2H3,(H2,24,25,26)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 10 mins followed by NADPH addition measured after...


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078116
PNG
(CHEMBL3417523)
Show SMILES Cn1cc(cn1)-c1nc(no1)[C@@](C)(C1CCC1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C22H23N7O/c1-22(17-4-3-5-17,20-27-19(30-28-20)16-12-26-29(2)13-16)18-8-6-14(7-9-18)15-10-24-21(23)25-11-15/h6-13,17H,3-5H2,1-2H3,(H2,23,24,25)/t22-/m0/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as inhibition of LTB4 synthesis preincubated for 15 mins followed by calcimyci...


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50078146
PNG
(CHEMBL3417531)
Show SMILES CC(C)(O)Cn1cc(cn1)-c1nc(no1)[C@](C)(C1CC1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C24H27N7O2/c1-23(2,32)14-31-13-17(12-28-31)20-29-21(30-33-20)24(3,19-8-9-19)18-6-4-15(5-7-18)16-10-26-22(25)27-11-16/h4-7,10-13,19,32H,8-9,14H2,1-3H3,(H2,25,26,27)/t24-/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes using dichlofenac as substrate preincubated for 10 mins followed by NADPH addition measured after 6 mi...


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Mus musculus)
BDBM50078119
PNG
(CHEMBL3417525)
Show SMILES CN(C)C(=O)Cn1cc(cn1)-c1nc(no1)[C@](C)(C1CC1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C24H26N8O2/c1-24(19-8-9-19,18-6-4-15(5-7-18)16-10-26-23(25)27-11-16)22-29-21(34-30-22)17-12-28-32(13-17)14-20(33)31(2)3/h4-7,10-13,19H,8-9,14H2,1-3H3,(H2,25,26,27)/t24-/m0/s1
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n/an/a 4.80E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in calcimycin-stimulated mouse whole blood assessed as inhibition of LTB4 synthesis preincubated for 15 mins followed by calcimyci...


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078045
PNG
(CHEMBL3417421)
Show SMILES Nc1ncc(cn1)-c1ccc(cc1)C1(CCC1)c1noc(n1)-c1ccc[nH]c1=O
Show InChI InChI=1S/C21H18N6O2/c22-20-24-11-14(12-25-20)13-4-6-15(7-5-13)21(8-2-9-21)19-26-18(29-27-19)16-3-1-10-23-17(16)28/h1,3-7,10-12H,2,8-9H2,(H,23,28)(H2,22,24,25)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as inhibition of LTB4 synthesis preincubated for 15 mins followed by calcimyci...


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078067
PNG
(CHEMBL3417512)
Show SMILES Cn1cc(cn1)-c1nc(Cc2ccc(cc2)-c2cnc(N)nc2)no1
Show InChI InChI=1S/C17H15N7O/c1-24-10-14(9-21-24)16-22-15(23-25-16)6-11-2-4-12(5-3-11)13-7-19-17(18)20-8-13/h2-5,7-10H,6H2,1H3,(H2,18,19,20)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as inhibition of LTB4 synthesis preincubated for 15 mins followed by calcimyci...


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078034
PNG
(CHEMBL3417430)
Show SMILES Nc1ncc(cn1)-c1ccc(cc1)C1(CCC1)c1noc(n1)-c1cnn(CC(O)=O)c1
Show InChI InChI=1S/C21H19N7O3/c22-20-23-8-14(9-24-20)13-2-4-16(5-3-13)21(6-1-7-21)19-26-18(31-27-19)15-10-25-28(11-15)12-17(29)30/h2-5,8-11H,1,6-7,12H2,(H,29,30)(H2,22,23,24)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as inhibition of LTB4 synthesis preincubated for 15 mins followed by calcimyci...


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078054
PNG
(CHEMBL3417413)
Show SMILES CS(=O)(=O)Nc1nc(no1)C1(CCC1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C17H18N6O3S/c1-27(24,25)23-16-21-14(22-26-16)17(7-2-8-17)13-5-3-11(4-6-13)12-9-19-15(18)20-10-12/h3-6,9-10H,2,7-8H2,1H3,(H2,18,19,20)(H,21,22,23)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as inhibition of LTB4 synthesis preincubated for 15 mins followed by calcimyci...


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50078060
PNG
(CHEMBL3417511)
Show SMILES CC(C)(O)Cn1cc(cn1)-c1nc(no1)C1(CCC1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C23H25N7O2/c1-22(2,31)14-30-13-17(12-27-30)19-28-20(29-32-19)23(8-3-9-23)18-6-4-15(5-7-18)16-10-25-21(24)26-11-16/h4-7,10-13,31H,3,8-9,14H2,1-2H3,(H2,24,25,26)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes using dichlofenac as substrate preincubated for 10 mins followed by NADPH addition measured after 6 mi...


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50078058
PNG
(CHEMBL3417509)
Show SMILES CN(C)CCn1cc(cn1)-c1nc(no1)C1(CCC1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C23H26N8O/c1-30(2)10-11-31-15-18(14-27-31)20-28-21(29-32-20)23(8-3-9-23)19-6-4-16(5-7-19)17-12-25-22(24)26-13-17/h4-7,12-15H,3,8-11H2,1-2H3,(H2,24,25,26)
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n/an/a 7.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes using dichlofenac as substrate preincubated for 10 mins followed by NADPH addition measured after 6 mi...


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50078145
PNG
(CHEMBL3417530)
Show SMILES CN(C)CCn1cc(cn1)-c1nc(no1)[C@](C)(C1CC1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C24H28N8O/c1-24(20-8-9-20,19-6-4-16(5-7-19)17-12-26-23(25)27-13-17)22-29-21(33-30-22)18-14-28-32(15-18)11-10-31(2)3/h4-7,12-15,20H,8-11H2,1-3H3,(H2,25,26,27)/t24-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 10 mins followed by NADPH addition measured after...


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50078058
PNG
(CHEMBL3417509)
Show SMILES CN(C)CCn1cc(cn1)-c1nc(no1)C1(CCC1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C23H26N8O/c1-30(2)10-11-31-15-18(14-27-31)20-28-21(29-32-20)23(8-3-9-23)19-6-4-16(5-7-19)17-12-25-22(24)26-13-17/h4-7,12-15H,3,8-11H2,1-2H3,(H2,24,25,26)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 10 mins followed by NADPH addition measured after...


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50078060
PNG
(CHEMBL3417511)
Show SMILES CC(C)(O)Cn1cc(cn1)-c1nc(no1)C1(CCC1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C23H25N7O2/c1-22(2,31)14-30-13-17(12-27-30)19-28-20(29-32-19)23(8-3-9-23)18-6-4-15(5-7-18)16-10-25-21(24)26-11-16/h4-7,10-13,31H,3,8-9,14H2,1-2H3,(H2,24,25,26)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 10 mins followed by NADPH addition measured after 6 mins


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50078119
PNG
(CHEMBL3417525)
Show SMILES CN(C)C(=O)Cn1cc(cn1)-c1nc(no1)[C@](C)(C1CC1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C24H26N8O2/c1-24(19-8-9-19,18-6-4-15(5-7-18)16-10-26-23(25)27-11-16)22-29-21(34-30-22)17-12-28-32(13-17)14-20(33)31(2)3/h4-7,10-13,19H,8-9,14H2,1-3H3,(H2,25,26,27)/t24-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 10 mins followed by NADPH addition measured after...


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50078119
PNG
(CHEMBL3417525)
Show SMILES CN(C)C(=O)Cn1cc(cn1)-c1nc(no1)[C@](C)(C1CC1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C24H26N8O2/c1-24(19-8-9-19,18-6-4-15(5-7-18)16-10-26-23(25)27-11-16)22-29-21(34-30-22)17-12-28-32(13-17)14-20(33)31(2)3/h4-7,10-13,19H,8-9,14H2,1-3H3,(H2,25,26,27)/t24-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 10 mins followed by NADPH addition measured after 6 mins


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50078146
PNG
(CHEMBL3417531)
Show SMILES CC(C)(O)Cn1cc(cn1)-c1nc(no1)[C@](C)(C1CC1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C24H27N7O2/c1-23(2,32)14-31-13-17(12-28-31)20-29-21(30-33-20)24(3,19-8-9-19)18-6-4-15(5-7-18)16-10-26-22(25)27-11-16/h4-7,10-13,19,32H,8-9,14H2,1-3H3,(H2,25,26,27)/t24-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 10 mins followed by NADPH addition measured after...


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50078145
PNG
(CHEMBL3417530)
Show SMILES CN(C)CCn1cc(cn1)-c1nc(no1)[C@](C)(C1CC1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C24H28N8O/c1-24(20-8-9-20,19-6-4-16(5-7-19)17-12-26-23(25)27-13-17)22-29-21(33-30-22)18-14-28-32(15-18)11-10-31(2)3/h4-7,12-15,20H,8-11H2,1-3H3,(H2,25,26,27)/t24-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 10 mins followed by NADPH addition measured after 6 mins


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50078119
PNG
(CHEMBL3417525)
Show SMILES CN(C)C(=O)Cn1cc(cn1)-c1nc(no1)[C@](C)(C1CC1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C24H26N8O2/c1-24(19-8-9-19,18-6-4-15(5-7-18)16-10-26-23(25)27-11-16)22-29-21(34-30-22)17-12-28-32(13-17)14-20(33)31(2)3/h4-7,10-13,19H,8-9,14H2,1-3H3,(H2,25,26,27)/t24-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes using dichlofenac as substrate preincubated for 10 mins followed by NADPH addition measured after 6 mi...


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50078146
PNG
(CHEMBL3417531)
Show SMILES CC(C)(O)Cn1cc(cn1)-c1nc(no1)[C@](C)(C1CC1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C24H27N7O2/c1-23(2,32)14-31-13-17(12-28-31)20-29-21(30-33-20)24(3,19-8-9-19)18-6-4-15(5-7-18)16-10-26-22(25)27-11-16/h4-7,10-13,19,32H,8-9,14H2,1-3H3,(H2,25,26,27)/t24-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 10 mins followed by NADPH addition measured after 6 mins


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50078145
PNG
(CHEMBL3417530)
Show SMILES CN(C)CCn1cc(cn1)-c1nc(no1)[C@](C)(C1CC1)c1ccc(cc1)-c1cnc(N)nc1
Show InChI InChI=1S/C24H28N8O/c1-24(20-8-9-20,19-6-4-16(5-7-19)17-12-26-23(25)27-13-17)22-29-21(33-30-22)18-14-28-32(15-18)11-10-31(2)3/h4-7,12-15,20H,8-11H2,1-3H3,(H2,25,26,27)/t24-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes using dichlofenac as substrate preincubated for 10 mins followed by NADPH addition measured after 6 mi...


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078144
PNG
(CHEMBL3417529)
Show SMILES CC(C)Nc1ncc(cn1)-c1ccc(cc1)[C@@](C)(C1CC1)c1noc(n1)-c1cnn(CC(=O)N(C)C)c1
Show InChI InChI=1S/C27H32N8O2/c1-17(2)31-26-28-12-19(13-29-26)18-6-8-21(9-7-18)27(3,22-10-11-22)25-32-24(37-33-25)20-14-30-35(15-20)16-23(36)34(4)5/h6-9,12-15,17,22H,10-11,16H2,1-5H3,(H,28,29,31)/t27-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as inhibition of LTB4 synthesis preincubated for 15 mins followed by calcimyci...


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%