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Compile Data Set for Download or QSAR

Found 54 hits of Enz. Inhib. data with enzyme = 'Arachidonate 5-lipoxygenase' and Substrate = 'to-be-curated'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM86692
PNG
(K117)
Show SMILES CC(C)C(=O)N(C1CC(C)N(C(=O)c2ccccc2)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C27H28N2O2/c1-19(2)26(30)29(22-14-8-5-9-15-22)25-18-20(3)28(24-17-11-10-16-23(24)25)27(31)21-12-6-4-7-13-21/h4-17,19-20,25H,18H2,1-3H3
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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM86693
PNG
(K376)
Show SMILES CCC(=O)N1C(C)CC(N(C(C)=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C21H24N2O2/c1-4-21(25)22-15(2)14-20(18-12-8-9-13-19(18)22)23(16(3)24)17-10-6-5-7-11-17/h5-13,15,20H,4,14H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM86691
PNG
(K604)
Show SMILES CC1CC(N(C(=O)C2CC2)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1
Show InChI InChI=1S/C27H26N2O2/c1-19-18-25(29(27(31)21-16-17-21)22-12-6-3-7-13-22)23-14-8-9-15-24(23)28(19)26(30)20-10-4-2-5-11-20/h2-15,19,21,25H,16-18H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM323045
PNG
((1R,2R)-N-(2-Methyl-4-oxo-4,5,6,7- tetrahydropyraz...)
Show SMILES Cc1cc(n[nH]1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1c(C)nn2CCNC(=O)c12
Show InChI InChI=1S/C25H28N6O3/c1-14-13-20(29-28-14)16-7-9-17(10-8-16)23(32)18-5-3-4-6-19(18)24(33)27-21-15(2)30-31-12-11-26-25(34)22(21)31/h7-10,13,18-19H,3-6,11-12H2,1-2H3,(H,26,34)(H,27,33)(H,28,29)/t18-,19-/m1/s1
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n/an/a 3.90n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...


US Patent US10183947 (2019)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM323046
PNG
((1R,2R)-N-(2-Methyl-4-oxo-4,5,6,7- tetrahydropyraz...)
Show SMILES Cc1nn2CCNC(=O)c2c1NC(=O)[C@@H]1CCCC[C@H]1C(=O)c1ccc(cc1)-c1cc[nH]n1
Show InChI InChI=1S/C24H26N6O3/c1-14-20(21-24(33)25-12-13-30(21)29-14)27-23(32)18-5-3-2-4-17(18)22(31)16-8-6-15(7-9-16)19-10-11-26-28-19/h6-11,17-18H,2-5,12-13H2,1H3,(H,25,33)(H,26,28)(H,27,32)/t17-,18-/m1/s1
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n/an/a 4.80n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...


US Patent US10183947 (2019)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM323023
PNG
((1R,2R)-2-[4-(3-Methyl-1H-pyrazol-5- yl)benzoyl]-N...)
Show SMILES Cc1cc([nH]n1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1cnn2CCNC(=O)c12
Show InChI InChI=1S/C24H26N6O3/c1-14-12-19(29-28-14)15-6-8-16(9-7-15)22(31)17-4-2-3-5-18(17)23(32)27-20-13-26-30-11-10-25-24(33)21(20)30/h6-9,12-13,17-18H,2-5,10-11H2,1H3,(H,25,33)(H,27,32)(H,28,29)/t17-,18-/m1/s1
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n/an/a 6.30n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...


US Patent US10183947 (2019)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM323041
PNG
((1R,2R)-N-(4-Oxo-4,5,6,7- tetrahydropyrazolo[1,5-a...)
Show SMILES O=C(Nc1cnn2CCNC(=O)c12)[C@@H]1CCCC[C@H]1C(=O)c1ccc(cc1)-c1ccn[nH]1
Show InChI InChI=1S/C23H24N6O3/c30-21(15-7-5-14(6-8-15)18-9-10-25-28-18)16-3-1-2-4-17(16)22(31)27-19-13-26-29-12-11-24-23(32)20(19)29/h5-10,13,16-17H,1-4,11-12H2,(H,24,32)(H,25,28)(H,27,31)/t16-,17-/m1/s1
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n/an/a 8.10n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...


US Patent US10183947 (2019)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM323031
PNG
((1R,2R)-N-[5-(Difluoromethyl)-1H- pyrazol-4-yl]-2-...)
Show SMILES Cc1cc(n[nH]1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1cn[nH]c1C(F)F
Show InChI InChI=1S/C22H23F2N5O2/c1-12-10-17(28-27-12)13-6-8-14(9-7-13)20(30)15-4-2-3-5-16(15)22(31)26-18-11-25-29-19(18)21(23)24/h6-11,15-16,21H,2-5H2,1H3,(H,25,29)(H,26,31)(H,27,28)/t15-,16-/m1/s1
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n/an/a 8.60n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...


US Patent US10183947 (2019)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM323056
PNG
((1R,2R or 1S,2S)-2-[2-Fluoro-4-(3-methyl- 1H-pyraz...)
Show SMILES Cc1cc([nH]n1)-c1ccc(C(=O)C2CCCCC2C(=O)Nc2cnn3CCNC(=O)c23)c(F)c1
Show InChI InChI=1S/C24H25FN6O3/c1-13-10-19(30-29-13)14-6-7-17(18(25)11-14)22(32)15-4-2-3-5-16(15)23(33)28-20-12-27-31-9-8-26-24(34)21(20)31/h6-7,10-12,15-16H,2-5,8-9H2,1H3,(H,26,34)(H,28,33)(H,29,30)
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n/an/a 9n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...


US Patent US10183947 (2019)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM323047
PNG
((1R,2R)-N-[5-(Difluoromethyl)-1H- pyrazol-4-yl]-2-...)
Show SMILES FC(F)c1[nH]ncc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)c1ccc(cc1)-c1cc[nH]n1
Show InChI InChI=1S/C21H21F2N5O2/c22-20(23)18-17(11-25-28-18)26-21(30)15-4-2-1-3-14(15)19(29)13-7-5-12(6-8-13)16-9-10-24-27-16/h5-11,14-15,20H,1-4H2,(H,24,27)(H,25,28)(H,26,30)/t14-,15-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...


US Patent US10183947 (2019)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM323055
PNG
(4-[({(1R,2R or 1S,2S)-2-[2-Fluoro-4-(3- methyl-1H-...)
Show SMILES Cc1cc([nH]n1)-c1ccc(C(=O)C2CCCCC2C(=O)Nc2cn[nH]c2C(N)=O)c(F)c1
Show InChI InChI=1S/C22H23FN6O3/c1-11-8-17(28-27-11)12-6-7-15(16(23)9-12)20(30)13-4-2-3-5-14(13)22(32)26-18-10-25-29-19(18)21(24)31/h6-10,13-14H,2-5H2,1H3,(H2,24,31)(H,25,29)(H,26,32)(H,27,28)
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n/an/a 20n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...


US Patent US10183947 (2019)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM323033
PNG
((1R,2R)-N-(5-Methyl-4-oxo-4,5,6,7- tetrahydropyraz...)
Show SMILES CN1CCn2ncc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)c3ccc(cc3)-c3cc[nH]n3)c2C1=O
Show InChI InChI=1S/C24H26N6O3/c1-29-12-13-30-21(24(29)33)20(14-26-30)27-23(32)18-5-3-2-4-17(18)22(31)16-8-6-15(7-9-16)19-10-11-25-28-19/h6-11,14,17-18H,2-5,12-13H2,1H3,(H,25,28)(H,27,32)/t17-,18-/m1/s1
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ASTRAZENECA AB

US Patent


Assay Description
Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...


US Patent US10183947 (2019)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM323020
PNG
((1S,2S or 1R,2R)-N-(3-Cyano-1-methyl- 1H-pyrazol-4...)
Show SMILES Cc1cc([nH]n1)-c1ccc(cc1)C(=O)C1CCCCC1C(=O)Nc1cn(C)nc1C#N
Show InChI InChI=1S/C23H24N6O2/c1-14-11-19(27-26-14)15-7-9-16(10-8-15)22(30)17-5-3-4-6-18(17)23(31)25-21-13-29(2)28-20(21)12-24/h7-11,13,17-18H,3-6H2,1-2H3,(H,25,31)(H,26,27)
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n/an/a 22n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...


US Patent US10183947 (2019)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM323032
PNG
((1R,2R)-N-(5-Methyl-4-oxo-4,5,6,7- tetrahydropyraz...)
Show SMILES CN1CCn2ncc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)c3ccc(cc3)-c3cc(C)[nH]n3)c2C1=O
Show InChI InChI=1S/C25H28N6O3/c1-15-13-20(29-28-15)16-7-9-17(10-8-16)23(32)18-5-3-4-6-19(18)24(33)27-21-14-26-31-12-11-30(2)25(34)22(21)31/h7-10,13-14,18-19H,3-6,11-12H2,1-2H3,(H,27,33)(H,28,29)/t18-,19-/m1/s1
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ASTRAZENECA AB

US Patent


Assay Description
Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...


US Patent US10183947 (2019)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM323065
PNG
((1R,2R and 1S,2S)-N-(3-Methyl-1,2- thiazol-5-yl)-2...)
Show SMILES Cc1cc(NC(=O)C2CCCCC2C(=O)c2ccc(cc2)-c2ccn[nH]2)sn1
Show InChI InChI=1S/C21H22N4O2S/c1-13-12-19(28-25-13)23-21(27)17-5-3-2-4-16(17)20(26)15-8-6-14(7-9-15)18-10-11-22-24-18/h6-12,16-17H,2-5H2,1H3,(H,22,24)(H,23,27)
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ASTRAZENECA AB

US Patent


Assay Description
Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...


US Patent US10183947 (2019)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM323039
PNG
(5-Methyl-4-[({(1R,2R)-2-[4-(3-methyl-1H- pyrazol-5...)
Show SMILES Cc1cc([nH]n1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1c(C)[nH]nc1C(N)=O
Show InChI InChI=1S/C23H26N6O3/c1-12-11-18(28-26-12)14-7-9-15(10-8-14)21(30)16-5-3-4-6-17(16)23(32)25-19-13(2)27-29-20(19)22(24)31/h7-11,16-17H,3-6H2,1-2H3,(H2,24,31)(H,25,32)(H,26,28)(H,27,29)/t16-,17-/m1/s1
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ASTRAZENECA AB

US Patent


Assay Description
Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...


US Patent US10183947 (2019)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM323042
PNG
((1R,2R)-N-[1-Methyl-5- (melhyIsulfamoyl)-1H-pyrazo...)
Show SMILES CNS(=O)(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)c2ccc(cc2)-c2cc(C)n[nH]2)cnn1C
Show InChI InChI=1S/C23H28N6O4S/c1-14-12-19(28-27-14)15-8-10-16(11-9-15)21(30)17-6-4-5-7-18(17)22(31)26-20-13-25-29(3)23(20)34(32,33)24-2/h8-13,17-18,24H,4-7H2,1-3H3,(H,26,31)(H,27,28)/t17-,18-/m1/s1
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n/an/a 25n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...


US Patent US10183947 (2019)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM323054
PNG
(4-[({(1R,2R or 1S,2S)-2-[2-Fluoro-4-(3- methyl-1H-...)
Show SMILES Cc1cc([nH]n1)-c1ccc(C(=O)C2CCCCC2C(=O)Nc2cnn(C)c2C(N)=O)c(F)c1
Show InChI InChI=1S/C23H25FN6O3/c1-12-9-18(29-28-12)13-7-8-16(17(24)10-13)21(31)14-5-3-4-6-15(14)23(33)27-19-11-26-30(2)20(19)22(25)32/h7-11,14-15H,3-6H2,1-2H3,(H2,25,32)(H,27,33)(H,28,29)
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n/an/a 27n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...


US Patent US10183947 (2019)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM323034
PNG
((1R,2R or 1S,2S)-N-(5-Cyano-1-methyl- 1H-pyrazol-4...)
Show SMILES Cn1ncc(NC(=O)C2CCCCC2C(=O)c2ccc(cc2)-c2cc[nH]n2)c1C#N
Show InChI InChI=1S/C22H22N6O2/c1-28-20(12-23)19(13-25-28)26-22(30)17-5-3-2-4-16(17)21(29)15-8-6-14(7-9-15)18-10-11-24-27-18/h6-11,13,16-17H,2-5H2,1H3,(H,24,27)(H,26,30)
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n/an/a 28n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...


US Patent US10183947 (2019)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM323036
PNG
(1-Ethyl-4-[({(1R,2R)-2-[4-(3-methyl-1H- pyrazol-5-...)
Show SMILES CCn1ncc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)c2ccc(cc2)-c2cc(C)n[nH]2)c1C(N)=O
Show InChI InChI=1S/C24H28N6O3/c1-3-30-21(23(25)32)20(13-26-30)27-24(33)18-7-5-4-6-17(18)22(31)16-10-8-15(9-11-16)19-12-14(2)28-29-19/h8-13,17-18H,3-7H2,1-2H3,(H2,25,32)(H,27,33)(H,28,29)/t17-,18-/m1/s1
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n/an/a 29n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...


US Patent US10183947 (2019)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM323025
PNG
((1R,2R)-N-[3-(Difluoromethoxy)-1- methyl-1H-pyrazo...)
Show SMILES Cn1cc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)c2ccc(cc2)-c2ccn[nH]2)c(OC(F)F)n1
Show InChI InChI=1S/C22H23F2N5O3/c1-29-12-18(21(28-29)32-22(23)24)26-20(31)16-5-3-2-4-15(16)19(30)14-8-6-13(7-9-14)17-10-11-25-27-17/h6-12,15-16,22H,2-5H2,1H3,(H,25,27)(H,26,31)/t15-,16-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...


US Patent US10183947 (2019)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM323029
PNG
((1R,2R)-2-[4-(3-Methyl-1H-pyrazol-5- yl)benzoyl]-N...)
Show SMILES Cc1cc([nH]n1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1cnn(C)c1S(N)(=O)=O
Show InChI InChI=1S/C22H26N6O4S/c1-13-11-18(27-26-13)14-7-9-15(10-8-14)20(29)16-5-3-4-6-17(16)21(30)25-19-12-24-28(2)22(19)33(23,31)32/h7-12,16-17H,3-6H2,1-2H3,(H,25,30)(H,26,27)(H2,23,31,32)/t16-,17-/m1/s1
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n/an/a 33n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...


US Patent US10183947 (2019)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM323017
PNG
(1-Methyl-4-[({(1R,2R)-2-[4-(1H-pyrazol- 3-yl)benzo...)
Show SMILES Cn1ncc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)c2ccc(cc2)-c2cc[nH]n2)c1C(N)=O
Show InChI InChI=1S/C22H24N6O3/c1-28-19(21(23)30)18(12-25-28)26-22(31)16-5-3-2-4-15(16)20(29)14-8-6-13(7-9-14)17-10-11-24-27-17/h6-12,15-16H,2-5H2,1H3,(H2,23,30)(H,24,27)(H,26,31)/t15-,16-/m1/s1
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n/an/a 34n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...


US Patent US10183947 (2019)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM323040
PNG
(4-[({(1R,2R)-2-[4-(1H-Pyrazol-5- yl)benzoyl]cycloh...)
Show SMILES NC(=O)c1[nH]ncc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)c1ccc(cc1)-c1ccn[nH]1
Show InChI InChI=1S/C21H22N6O3/c22-20(29)18-17(11-24-27-18)25-21(30)15-4-2-1-3-14(15)19(28)13-7-5-12(6-8-13)16-9-10-23-26-16/h5-11,14-15H,1-4H2,(H2,22,29)(H,23,26)(H,24,27)(H,25,30)/t14-,15-/m1/s1
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ASTRAZENECA AB

US Patent


Assay Description
Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...


US Patent US10183947 (2019)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM323019
PNG
(1-Methyl-4-[({(1R,2R)-2-[4-(3-methyl-1H- pyrazol-5...)
Show SMILES Cc1cc(n[nH]1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1cn(C)nc1C(N)=O
Show InChI InChI=1S/C23H26N6O3/c1-13-11-18(27-26-13)14-7-9-15(10-8-14)21(30)16-5-3-4-6-17(16)23(32)25-19-12-29(2)28-20(19)22(24)31/h7-12,16-17H,3-6H2,1-2H3,(H2,24,31)(H,25,32)(H,26,27)/t16-,17-/m1/s1
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n/an/a 36n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...


US Patent US10183947 (2019)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM323018
PNG
(1-Methyl-4-[({(1R,2R)-2-[4-(3-methyl-1H- pyrazol-5...)
Show SMILES Cc1cc([nH]n1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1cnn(C)c1C(N)=O
Show InChI InChI=1S/C23H26N6O3/c1-13-11-18(28-27-13)14-7-9-15(10-8-14)21(30)16-5-3-4-6-17(16)23(32)26-19-12-25-29(2)20(19)22(24)31/h7-12,16-17H,3-6H2,1-2H3,(H2,24,31)(H,26,32)(H,27,28)/t16-,17-/m1/s1
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ASTRAZENECA AB

US Patent


Assay Description
Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...


US Patent US10183947 (2019)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM323051
PNG
(4-[({(1R,2R or 1S,2S)-2-[2-Fluoro-4-(1H- pyrazol-5...)
Show SMILES Cn1ncc(NC(=O)C2CCCCC2C(=O)c2ccc(cc2F)-c2ccn[nH]2)c1C(N)=O
Show InChI InChI=1S/C22H23FN6O3/c1-29-19(21(24)31)18(11-26-29)27-22(32)14-5-3-2-4-13(14)20(30)15-7-6-12(10-16(15)23)17-8-9-25-28-17/h6-11,13-14H,2-5H2,1H3,(H2,24,31)(H,25,28)(H,27,32)
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ASTRAZENECA AB

US Patent


Assay Description
Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...


US Patent US10183947 (2019)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM323028
PNG
((1R,2R or 1S,2S)-N-(3-Cyano-1-methyl- 1H-pyrazol-4...)
Show SMILES Cn1cc(NC(=O)C2CCCCC2C(=O)c2ccc(cc2)-c2cc[nH]n2)c(n1)C#N
Show InChI InChI=1S/C22H22N6O2/c1-28-13-20(19(12-23)27-28)25-22(30)17-5-3-2-4-16(17)21(29)15-8-6-14(7-9-15)18-10-11-24-26-18/h6-11,13,16-17H,2-5H2,1H3,(H,24,26)(H,25,30)
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ASTRAZENECA AB

US Patent


Assay Description
Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...


US Patent US10183947 (2019)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM323066
PNG
((1R,2R and 1S,1S)-N-(4-Cyano-3-methyl- 1,2-thiazol...)
Show SMILES Cc1nsc(NC(=O)C2CCCCC2C(=O)c2ccc(cc2)-c2ccn[nH]2)c1C#N
Show InChI InChI=1S/C22H21N5O2S/c1-13-18(12-23)22(30-27-13)25-21(29)17-5-3-2-4-16(17)20(28)15-8-6-14(7-9-15)19-10-11-24-26-19/h6-11,16-17H,2-5H2,1H3,(H,24,26)(H,25,29)
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ASTRAZENECA AB

US Patent


Assay Description
Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...


US Patent US10183947 (2019)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM323024
PNG
(((1R,2R)-N-[1-Methyl-5-(methylsulfonyl)- 1H-pyrazo...)
Show SMILES Cn1ncc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)c2ccc(cc2)-c2ccn[nH]2)c1S(C)(=O)=O
Show InChI InChI=1S/C22H25N5O4S/c1-27-22(32(2,30)31)19(13-24-27)25-21(29)17-6-4-3-5-16(17)20(28)15-9-7-14(8-10-15)18-11-12-23-26-18/h7-13,16-17H,3-6H2,1-2H3,(H,23,26)(H,25,29)/t16-,17-/m1/s1
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ASTRAZENECA AB

US Patent


Assay Description
Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...


US Patent US10183947 (2019)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM323061
PNG
((1R,2R and 1S,2S)-N-(3-Methyl-1,2- oxazol-5-yl)-2-...)
Show SMILES Cc1cc(NC(=O)C2CCCCC2C(=O)c2ccc(cc2)-c2ccn[nH]2)on1
Show InChI InChI=1S/C21H22N4O3/c1-13-12-19(28-25-13)23-21(27)17-5-3-2-4-16(17)20(26)15-8-6-14(7-9-15)18-10-11-22-24-18/h6-12,16-17H,2-5H2,1H3,(H,22,24)(H,23,27)
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ASTRAZENECA AB

US Patent


Assay Description
Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...


US Patent US10183947 (2019)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM323064
PNG
((1R,2R and 1S,2S)-N-(3-Cyclopropyl- 1,2,4-thiadiaz...)
Show SMILES O=C(Nc1nc(ns1)C1CC1)C1CCCCC1C(=O)c1ccc(cc1)-c1ccn[nH]1
Show InChI InChI=1S/C22H23N5O2S/c28-19(14-7-5-13(6-8-14)18-11-12-23-26-18)16-3-1-2-4-17(16)21(29)25-22-24-20(27-30-22)15-9-10-15/h5-8,11-12,15-17H,1-4,9-10H2,(H,23,26)(H,24,25,27,29)
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ASTRAZENECA AB

US Patent


Assay Description
Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...


US Patent US10183947 (2019)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM323050
PNG
((1R,2R and 1S,2S)-N-(5-Cyclopropyl-1- methyl-1H-1,...)
Show SMILES Cn1nnc(NC(=O)C2CCCCC2C(=O)c2ccc(cc2)-c2ccn[nH]2)c1C1CC1
Show InChI InChI=1S/C23H26N6O2/c1-29-20(15-8-9-15)22(27-28-29)25-23(31)18-5-3-2-4-17(18)21(30)16-10-6-14(7-11-16)19-12-13-24-26-19/h6-7,10-13,15,17-18H,2-5,8-9H2,1H3,(H,24,26)(H,25,31)
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ASTRAZENECA AB

US Patent


Assay Description
Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...


US Patent US10183947 (2019)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM323022
PNG
((1R,2R)-2-[4-(3-Methyl-1H-pyrazol-5- yl)benzoyl]-N...)
Show SMILES Cc1cc([nH]n1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1cn[nH]c1
Show InChI InChI=1S/C21H23N5O2/c1-13-10-19(26-25-13)14-6-8-15(9-7-14)20(27)17-4-2-3-5-18(17)21(28)24-16-11-22-23-12-16/h6-12,17-18H,2-5H2,1H3,(H,22,23)(H,24,28)(H,25,26)/t17-,18-/m1/s1
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ASTRAZENECA AB

US Patent


Assay Description
Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...


US Patent US10183947 (2019)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM323044
PNG
((1R,2R)-N-[5-(Dimethylsulfamoyl)-1- methyl-1H-pyra...)
Show SMILES CN(C)S(=O)(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)c2ccc(cc2)-c2ccn[nH]2)cnn1C
Show InChI InChI=1S/C23H28N6O4S/c1-28(2)34(32,33)23-20(14-25-29(23)3)26-22(31)18-7-5-4-6-17(18)21(30)16-10-8-15(9-11-16)19-12-13-24-27-19/h8-14,17-18H,4-7H2,1-3H3,(H,24,27)(H,26,31)/t17-,18-/m1/s1
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ASTRAZENECA AB

US Patent


Assay Description
Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...


US Patent US10183947 (2019)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM323057
PNG
(4-[({(1R,2R or 1S,2S)-2-[2-Fluoro-4-(3- methyl-1H-...)
Show SMILES Cc1cc([nH]n1)-c1ccc(C(=O)C2CCCCC2C(=O)Nc2nonc2C(N)=O)c(F)c1
Show InChI InChI=1S/C21H21FN6O4/c1-10-8-16(26-25-10)11-6-7-14(15(22)9-11)18(29)12-4-2-3-5-13(12)21(31)24-20-17(19(23)30)27-32-28-20/h6-9,12-13H,2-5H2,1H3,(H2,23,30)(H,25,26)(H,24,28,31)
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ASTRAZENECA AB

US Patent


Assay Description
Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...


US Patent US10183947 (2019)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM323016
PNG
(1-Methyl-4-[({(1R,2R or 1S,2S)-2-[4-(1H- pyrazol-3...)
Show SMILES Cn1cc(NC(=O)C2CCCCC2C(=O)c2ccc(cc2)-c2cc[nH]n2)c(n1)C(N)=O
Show InChI InChI=1S/C22H24N6O3/c1-28-12-18(19(27-28)21(23)30)25-22(31)16-5-3-2-4-15(16)20(29)14-8-6-13(7-9-14)17-10-11-24-26-17/h6-12,15-16H,2-5H2,1H3,(H2,23,30)(H,24,26)(H,25,31)
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n/an/a 73n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...


US Patent US10183947 (2019)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM323027
PNG
((1R,2R)-N-(2,3-Dihydropyrazolo[5,1- b][1,3]oxazol-...)
Show SMILES Cc1cc([nH]n1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1cnn2CCOc12
Show InChI InChI=1S/C23H25N5O3/c1-14-12-19(27-26-14)15-6-8-16(9-7-15)21(29)17-4-2-3-5-18(17)22(30)25-20-13-24-28-10-11-31-23(20)28/h6-9,12-13,17-18H,2-5,10-11H2,1H3,(H,25,30)(H,26,27)/t17-,18-/m1/s1
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n/an/a 82n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...


US Patent US10183947 (2019)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM323052
PNG
(4-[({(1R,2R or 1S,2S)-2-[2-Fluoro-4-(1H- pyrazol-5...)
Show SMILES Cn1cc(NC(=O)C2CCCCC2C(=O)c2ccc(cc2F)-c2ccn[nH]2)c(n1)C(N)=O
Show InChI InChI=1S/C22H23FN6O3/c1-29-11-18(19(28-29)21(24)31)26-22(32)14-5-3-2-4-13(14)20(30)15-7-6-12(10-16(15)23)17-8-9-25-27-17/h6-11,13-14H,2-5H2,1H3,(H2,24,31)(H,25,27)(H,26,32)
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n/an/a 83n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...


US Patent US10183947 (2019)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM323063
PNG
((1R,2R and 1S,2S)-N-(5-Cyano-1-methyl- 1H-pyrazol-...)
Show SMILES Cc1cc([nH]n1)-c1ccc(cc1)C(=O)C1CCCCC1C(=O)Nc1cnn(C)c1C#N
Show InChI InChI=1S/C23H24N6O2/c1-14-11-19(28-27-14)15-7-9-16(10-8-15)22(30)17-5-3-4-6-18(17)23(31)26-20-13-25-29(2)21(20)12-24/h7-11,13,17-18H,3-6H2,1-2H3,(H,26,31)(H,27,28)
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n/an/a 86n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...


US Patent US10183947 (2019)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM323053
PNG
(4-[({(1R,2R or 1S,2S)-2-[2-Fluoro-4-(3- methyl-1H-...)
Show SMILES Cc1cc([nH]n1)-c1ccc(C(=O)C2CCCCC2C(=O)Nc2cn(C)nc2C(N)=O)c(F)c1
Show InChI InChI=1S/C23H25FN6O3/c1-12-9-18(28-27-12)13-7-8-16(17(24)10-13)21(31)14-5-3-4-6-15(14)23(33)26-19-11-30(2)29-20(19)22(25)32/h7-11,14-15H,3-6H2,1-2H3,(H2,25,32)(H,26,33)(H,27,28)
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n/an/a 90n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...


US Patent US10183947 (2019)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM323060
PNG
((1R,2R)-2-[4-(3-Methyl-1H-pyrazol-5- yl)benzoyl]-N...)
Show SMILES Cc1cc([nH]n1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1nnco1
Show InChI InChI=1S/C20H21N5O3/c1-12-10-17(24-23-12)13-6-8-14(9-7-13)18(26)15-4-2-3-5-16(15)19(27)22-20-25-21-11-28-20/h6-11,15-16H,2-5H2,1H3,(H,23,24)(H,22,25,27)/t15-,16-/m1/s1
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n/an/a 140n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...


US Patent US10183947 (2019)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM323058
PNG
(3-[({(1R,2R or 1S,2S)-2-[2-Fluoro-4-(1H- pyrazol-5...)
Show SMILES Cc1onc(NC(=O)C2CCCCC2C(=O)c2ccc(cc2F)-c2ccn[nH]2)c1C(N)=O
Show InChI InChI=1S/C22H22FN5O4/c1-11-18(20(24)30)21(28-32-11)26-22(31)14-5-3-2-4-13(14)19(29)15-7-6-12(10-16(15)23)17-8-9-25-27-17/h6-10,13-14H,2-5H2,1H3,(H2,24,30)(H,25,27)(H,26,28,31)
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n/an/a 160n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...


US Patent US10183947 (2019)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM323049
PNG
(4-[({(1R,2R and 1S,2S)-2-[2-Chloro-4-(3- methyl-1H...)
Show SMILES Cc1cc([nH]n1)-c1ccc(C(=O)C2CCCCC2C(=O)Nc2cnn(C)c2C(N)=O)c(Cl)c1
Show InChI InChI=1S/C23H25ClN6O3/c1-12-9-18(29-28-12)13-7-8-16(17(24)10-13)21(31)14-5-3-4-6-15(14)23(33)27-19-11-26-30(2)20(19)22(25)32/h7-11,14-15H,3-6H2,1-2H3,(H2,25,32)(H,27,33)(H,28,29)
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n/an/a 170n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...


US Patent US10183947 (2019)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM323037
PNG
(N,1-Dimethyl-4-[({(1R,2R and 1S,2S)-2- [4-(1H-pyra...)
Show SMILES CNC(=O)c1nn(C)cc1NC(=O)C1CCCCC1C(=O)c1ccc(cc1)-c1cc[nH]n1
Show InChI InChI=1S/C23H26N6O3/c1-24-23(32)20-19(13-29(2)28-20)26-22(31)17-6-4-3-5-16(17)21(30)15-9-7-14(8-10-15)18-11-12-25-27-18/h7-13,16-17H,3-6H2,1-2H3,(H,24,32)(H,25,27)(H,26,31)
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n/an/a 180n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...


US Patent US10183947 (2019)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM323048
PNG
(4-[({(1R,2R and 1S,2S)-2-[2-Chloro-4- (1H-pyrazol-...)
Show SMILES Cn1ncc(NC(=O)C2CCCCC2C(=O)c2ccc(cc2Cl)-c2ccn[nH]2)c1C(N)=O
Show InChI InChI=1S/C22H23ClN6O3/c1-29-19(21(24)31)18(11-26-29)27-22(32)14-5-3-2-4-13(14)20(30)15-7-6-12(10-16(15)23)17-8-9-25-28-17/h6-11,13-14H,2-5H2,1H3,(H2,24,31)(H,25,28)(H,27,32)
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n/an/a 190n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...


US Patent US10183947 (2019)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM323059
PNG
(1-Ethyl-4-[({(1R,2R and 1S,2S)-2-[4-(1H- pyrazol-5...)
Show SMILES CCn1cc(NC(=O)C2CCCCC2C(=O)c2ccc(cc2)-c2ccn[nH]2)c(n1)C(N)=O
Show InChI InChI=1S/C23H26N6O3/c1-2-29-13-19(20(28-29)22(24)31)26-23(32)17-6-4-3-5-16(17)21(30)15-9-7-14(8-10-15)18-11-12-25-27-18/h7-13,16-17H,2-6H2,1H3,(H2,24,31)(H,25,27)(H,26,32)
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n/an/a 200n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...


US Patent US10183947 (2019)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM323062
PNG
((1R,2R and 1S,2S)-N-(4-Methyl-1,3- oxazol-2-yl)-2-...)
Show SMILES Cc1coc(NC(=O)C2CCCCC2C(=O)c2ccc(cc2)-c2ccn[nH]2)n1
Show InChI InChI=1S/C21H22N4O3/c1-13-12-28-21(23-13)24-20(27)17-5-3-2-4-16(17)19(26)15-8-6-14(7-9-15)18-10-11-22-25-18/h6-12,16-17H,2-5H2,1H3,(H,22,25)(H,23,24,27)
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n/an/a 210n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...


US Patent US10183947 (2019)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM323038
PNG
(N,1-Dimethyl-4-[({(1R,2R)-2-[4-(5- methyl-1H-pyraz...)
Show SMILES CNC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)c2ccc(cc2)-c2cc(C)[nH]n2)cnn1C
Show InChI InChI=1S/C24H28N6O3/c1-14-12-19(29-28-14)15-8-10-16(11-9-15)22(31)17-6-4-5-7-18(17)23(32)27-20-13-26-30(3)21(20)24(33)25-2/h8-13,17-18H,4-7H2,1-3H3,(H,25,33)(H,27,32)(H,28,29)/t17-,18-/m1/s1
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n/an/a 230n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...


US Patent US10183947 (2019)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM323026
PNG
((1R,2R)-2-[4-(3-Methyl-1H-pyrazol-5- yl)benzoyl]-N...)
Show SMILES Cc1cc([nH]n1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1cn(C)nc1S(N)(=O)=O
Show InChI InChI=1S/C22H26N6O4S/c1-13-11-18(26-25-13)14-7-9-15(10-8-14)20(29)16-5-3-4-6-17(16)21(30)24-19-12-28(2)27-22(19)33(23,31)32/h7-12,16-17H,3-6H2,1-2H3,(H,24,30)(H,25,26)(H2,23,31,32)/t16-,17-/m1/s1
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n/an/a 270n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...


US Patent US10183947 (2019)

More data for this
Ligand-Target Pair
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