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Patent code US10308634

Compile Data Set for Download or QSAR
Found 22 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
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM395298
PNG
(6-(Difluoromethyl)-N-[2-(3-hydroxy-3-methylbutyl)-...)
Show SMILES CC(C)(O)CCn1cc2cc(NC(=O)c3cccc(n3)C(F)F)c(cc2n1)C(C)(C)O
Show InChI InChI=1S/C22H26F2N4O3/c1-21(2,30)8-9-28-12-13-10-18(14(22(3,4)31)11-17(13)27-28)26-20(29)16-7-5-6-15(25-16)19(23)24/h5-7,10-12,19,30-31H,8-9H2,1-4H3,(H,26,29)
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n/an/a 1.30n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...


US Patent US10308634 (2019)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM395296
PNG
(N-[2-(3-Hydroxy-3-methylbutyl)-6-(2-hydroxypropan-...)
Show SMILES CC(C)(O)CCn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(cc2n1)C(C)(C)O
Show InChI InChI=1S/C22H25F3N4O3/c1-20(2,31)8-9-29-12-13-10-17(14(21(3,4)32)11-16(13)28-29)27-19(30)15-6-5-7-18(26-15)22(23,24)25/h5-7,10-12,31-32H,8-9H2,1-4H3,(H,27,30)
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n/an/a 3.40n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...


US Patent US10308634 (2019)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM395307
PNG
(N-{2-[2-(1-Hydroxycyclopropyl)ethyl]-6-(2-hydroxyp...)
Show SMILES CC(C)(O)c1cc2nn(CCC3(O)CC3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C22H23F3N4O3/c1-20(2,31)14-11-16-13(12-29(28-16)9-8-21(32)6-7-21)10-17(14)27-19(30)15-4-3-5-18(26-15)22(23,24)25/h3-5,10-12,31-32H,6-9H2,1-2H3,(H,27,30)
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n/an/a 3.70n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...


US Patent US10308634 (2019)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM395288
PNG
(N-[6-(2-Hydroxypropan-2-yl)-2-(3-methoxypropyl)-2H...)
Show SMILES COCCCn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(cc2n1)C(C)(C)O
Show InChI InChI=1S/C21H23F3N4O3/c1-20(2,30)14-11-16-13(12-28(27-16)8-5-9-31-3)10-17(14)26-19(29)15-6-4-7-18(25-15)21(22,23)24/h4,6-7,10-12,30H,5,8-9H2,1-3H3,(H,26,29)
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n/an/a 7.20n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...


US Patent US10308634 (2019)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM395304
PNG
(5-Fluoro-N-[2-(3-hydroxy-3-methylbutyl)-6-(2-hydro...)
Show SMILES Cc1nc(ccc1F)C(=O)Nc1cc2cn(CCC(C)(C)O)nc2cc1C(C)(C)O
Show InChI InChI=1S/C22H27FN4O3/c1-13-16(23)6-7-17(24-13)20(28)25-19-10-14-12-27(9-8-21(2,3)29)26-18(14)11-15(19)22(4,5)30/h6-7,10-12,29-30H,8-9H2,1-5H3,(H,25,28)
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n/an/a 8.90n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...


US Patent US10308634 (2019)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM395297
PNG
(N-{6-(2-Hydroxypropan-2-yl)-2-[2-(methylsulphonyl)...)
Show SMILES CC(C)(O)c1cc2nn(CCS(C)(=O)=O)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C20H21F3N4O4S/c1-19(2,29)13-10-15-12(11-27(26-15)7-8-32(3,30)31)9-16(13)25-18(28)14-5-4-6-17(24-14)20(21,22)23/h4-6,9-11,29H,7-8H2,1-3H3,(H,25,28)
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n/an/a 10.7n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...


US Patent US10308634 (2019)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM395299
PNG
(6-(Difluoromethyl)-N-{6-(2-hydroxypropan-2-yl)-2-[...)
Show SMILES CC(C)(O)c1cc2nn(CCS(C)(=O)=O)cc2cc1NC(=O)c1cccc(n1)C(F)F
Show InChI InChI=1S/C20H22F2N4O4S/c1-20(2,28)13-10-16-12(11-26(25-16)7-8-31(3,29)30)9-17(13)24-19(27)15-6-4-5-14(23-15)18(21)22/h4-6,9-11,18,28H,7-8H2,1-3H3,(H,24,27)
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n/an/a 10.8n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...


US Patent US10308634 (2019)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM395300
PNG
(6-(Difluoromethyl)-N-[6-(2-hydroxypropan-2-yl)-2-(...)
Show SMILES CC(C)(O)c1cc2nn(CCCO)cc2cc1NC(=O)c1cccc(n1)C(F)F
Show InChI InChI=1S/C20H22F2N4O3/c1-20(2,29)13-10-16-12(11-26(25-16)7-4-8-27)9-17(13)24-19(28)15-6-3-5-14(23-15)18(21)22/h3,5-6,9-11,18,27,29H,4,7-8H2,1-2H3,(H,24,28)
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n/an/a 12.3n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...


US Patent US10308634 (2019)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM395305
PNG
(N-[2-(3-Hydroxy-3-methylbutyl)-6-(2-hydroxypropan-...)
Show SMILES Cc1cccc(n1)C(=O)Nc1cc2cn(CCC(C)(C)O)nc2cc1C(C)(C)O
Show InChI InChI=1S/C22H28N4O3/c1-14-7-6-8-17(23-14)20(27)24-19-11-15-13-26(10-9-21(2,3)28)25-18(15)12-16(19)22(4,5)29/h6-8,11-13,28-29H,9-10H2,1-5H3,(H,24,27)
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n/an/a 13.3n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...


US Patent US10308634 (2019)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM395293
PNG
(N-[6-(2-Hydroxypropan-2-yl)-2-(oxetan-3-ylmethyl)-...)
Show SMILES CC(C)(O)c1cc2nn(CC3COC3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C21H21F3N4O3/c1-20(2,30)14-7-16-13(9-28(27-16)8-12-10-31-11-12)6-17(14)26-19(29)15-4-3-5-18(25-15)21(22,23)24/h3-7,9,12,30H,8,10-11H2,1-2H3,(H,26,29)
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n/an/a 15n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...


US Patent US10308634 (2019)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM395295
PNG
(N-{6-(2-Hydroxypropan-2-yl)-2-[3-(methylsulphonyl)...)
Show SMILES CC(C)(O)c1cc2nn(CCCS(C)(=O)=O)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C21H23F3N4O4S/c1-20(2,30)14-11-16-13(12-28(27-16)8-5-9-33(3,31)32)10-17(14)26-19(29)15-6-4-7-18(25-15)21(22,23)24/h4,6-7,10-12,30H,5,8-9H2,1-3H3,(H,26,29)
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n/an/a 18.5n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...


US Patent US10308634 (2019)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM395301
PNG
(N-[6-(2-Hydroxypropan-2-yl)-2-(4,4,4-trifluorobuty...)
Show SMILES CC(C)(O)c1cc2nn(CCCC(F)(F)F)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C21H20F6N4O2/c1-19(2,33)13-10-15-12(11-31(30-15)8-4-7-20(22,23)24)9-16(13)29-18(32)14-5-3-6-17(28-14)21(25,26)27/h3,5-6,9-11,33H,4,7-8H2,1-2H3,(H,29,32)
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n/an/a 21.5n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...


US Patent US10308634 (2019)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM395286
PNG
(N-[6-(2-Hydroxypropan-2-yl)-2-(2-methoxyethyl)-2H-...)
Show SMILES COCCn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(cc2n1)C(C)(C)O
Show InChI InChI=1S/C20H21F3N4O3/c1-19(2,29)13-10-15-12(11-27(26-15)7-8-30-3)9-16(13)25-18(28)14-5-4-6-17(24-14)20(21,22)23/h4-6,9-11,29H,7-8H2,1-3H3,(H,25,28)
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n/an/a 30.6n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...


US Patent US10308634 (2019)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM395291
PNG
(N-[6-(2-Hydroxypropan-2-yl)-2-(3-hydroxypropyl)-2H...)
Show SMILES CC(C)(O)c1cc2nn(CCCO)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C20H21F3N4O3/c1-19(2,30)13-10-15-12(11-27(26-15)7-4-8-28)9-16(13)25-18(29)14-5-3-6-17(24-14)20(21,22)23/h3,5-6,9-11,28,30H,4,7-8H2,1-2H3,(H,25,29)
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n/an/a 35.7n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...


US Patent US10308634 (2019)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM395302
PNG
(N-{6-(2-Hydroxypropan-2-yl)-2-[3-(trifluoromethoxy...)
Show SMILES CC(C)(O)c1cc2nn(CCCOC(F)(F)F)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C21H20F6N4O3/c1-19(2,33)13-10-15-12(11-31(30-15)7-4-8-34-21(25,26)27)9-16(13)29-18(32)14-5-3-6-17(28-14)20(22,23)24/h3,5-6,9-11,33H,4,7-8H2,1-2H3,(H,29,32)
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n/an/a 36n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...


US Patent US10308634 (2019)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM395303
PNG
(N-{6-(2-Hydroxypropan-2-yl)-2-[3-(2,2,2-trifluoroe...)
Show SMILES CC(C)(O)c1cc2nn(CCCOCC(F)(F)F)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C22H22F6N4O3/c1-20(2,34)14-10-16-13(11-32(31-16)7-4-8-35-12-21(23,24)25)9-17(14)30-19(33)15-5-3-6-18(29-15)22(26,27)28/h3,5-6,9-11,34H,4,7-8,12H2,1-2H3,(H,30,33)
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n/an/a 47.5n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...


US Patent US10308634 (2019)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM395289
PNG
(N-[6-(Hydroxymethyl)-2-(3-methoxypropyl)-2H-indazo...)
Show SMILES COCCCn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(CO)cc2n1
Show InChI InChI=1S/C19H19F3N4O3/c1-29-7-3-6-26-10-12-8-15(13(11-27)9-16(12)25-26)24-18(28)14-4-2-5-17(23-14)19(20,21)22/h2,4-5,8-10,27H,3,6-7,11H2,1H3,(H,24,28)
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n/an/a 52.7n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...


US Patent US10308634 (2019)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM395294
PNG
(N-[6-(Hydroxymethyl)-2-(oxetan-3-ylmethyl)-2H-inda...)
Show SMILES OCc1cc2nn(CC3COC3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C19H17F3N4O3/c20-19(21,22)17-3-1-2-14(23-17)18(28)24-15-4-12-7-26(6-11-9-29-10-11)25-16(12)5-13(15)8-27/h1-5,7,11,27H,6,8-10H2,(H,24,28)
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n/an/a 104n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...


US Patent US10308634 (2019)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM395306
PNG
(6-(2-Hydroxypropan-2-yl)-N-[6-(2-hydroxypropan-2-y...)
Show SMILES CC(C)(O)c1cccc(n1)C(=O)Nc1cc2cn(CCCC(F)(F)F)nc2cc1C(C)(C)O
Show InChI InChI=1S/C23H27F3N4O3/c1-21(2,32)15-12-17-14(13-30(29-17)10-6-9-23(24,25)26)11-18(15)28-20(31)16-7-5-8-19(27-16)22(3,4)33/h5,7-8,11-13,32-33H,6,9-10H2,1-4H3,(H,28,31)
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n/an/a 117n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...


US Patent US10308634 (2019)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM395287
PNG
(N-[6-(Hydroxymethyl)-2-(2-methoxyethyl)-2H-indazol...)
Show SMILES COCCn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(CO)cc2n1
Show InChI InChI=1S/C18H17F3N4O3/c1-28-6-5-25-9-11-7-14(12(10-26)8-15(11)24-25)23-17(27)13-3-2-4-16(22-13)18(19,20)21/h2-4,7-9,26H,5-6,10H2,1H3,(H,23,27)
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n/an/a 136n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...


US Patent US10308634 (2019)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM395290
PNG
(N-[2-(2-Hydroxyethyl)-6-(2-hydroxypropan-2-yl)-2H-...)
Show SMILES CC(C)(O)c1cc2nn(CCO)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C19H19F3N4O3/c1-18(2,29)12-9-14-11(10-26(25-14)6-7-27)8-15(12)24-17(28)13-4-3-5-16(23-13)19(20,21)22/h3-5,8-10,27,29H,6-7H2,1-2H3,(H,24,28)
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n/an/a 264n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...


US Patent US10308634 (2019)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM395292
PNG
(N-[2-(2-Hydroxyethyl)-6-(hydroxymethyl)-2H-indazol...)
Show SMILES OCCn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(CO)cc2n1
Show InChI InChI=1S/C17H15F3N4O3/c18-17(19,20)15-3-1-2-12(21-15)16(27)22-13-6-10-8-24(4-5-25)23-14(10)7-11(13)9-26/h1-3,6-8,25-26H,4-5,9H2,(H,22,27)
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n/an/a 867n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...


US Patent US10308634 (2019)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%