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Patent code US9814704

Compile Data Set for Download or QSAR
Found 167 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
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354730
PNG
(Preparation of 3-(1H-indol-5-yl)-5-(2-(4-methylpip...)
Show SMILES CN1CCN(CC1)c1cc(ccn1)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1
Show InChI InChI=1S/C25H22N6/c1-30-8-10-31(11-9-30)24-14-17(4-7-27-24)20-13-21-22(16-29-25(21)28-15-20)18-2-3-23-19(12-18)5-6-26-23/h2-7,12-16H,8-11H2,1H3/b22-18+
PDB

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n/an/a<100n/an/an/an/an/an/a



The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354880
PNG
(Preparation of 4-{5-[4-(4-acetyl-piperazin-1-ylmet...)
Show SMILES CC(=O)N1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc(cc4)C(N)=O)c3c2)CC1
Show InChI InChI=1S/C27H27N5O2/c1-18(33)32-12-10-31(11-13-32)17-19-2-4-20(5-3-19)23-14-24-25(16-30-27(24)29-15-23)21-6-8-22(9-7-21)26(28)34/h2-9,14-16H,10-13,17H2,1H3,(H2,28,34)(H,29,30)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354870
PNG
(Preparation of {3-[3-(1H-indol-5-yl)-1H-pyrrolo[2,...)
Show SMILES CN1CCN(CC1)C(=O)c1cccc(c1)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1
Show InChI InChI=1S/C27H23N5O/c1-31-9-11-32(12-10-31)27(33)21-4-2-3-18(13-21)22-15-23-24(17-30-26(23)29-16-22)19-5-6-25-20(14-19)7-8-28-25/h2-8,13-17H,9-12H2,1H3/b24-19+
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354882
PNG
(US9814704, Example 159)
Show SMILES CC(=O)NCc1ccc(cc1)-c1cn(c2ncc(Br)cc12)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C23H20BrN3O3S/c1-15-3-9-20(10-4-15)31(29,30)27-14-22(21-11-19(24)13-26-23(21)27)18-7-5-17(6-8-18)12-25-16(2)28/h3-11,13-14H,12H2,1-2H3,(H,25,28)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354885
PNG
(US9814704, Example 162)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2cnc3ncc(cc23)-c2ccc(cc2)C(N)=O)CC1
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n/an/a<100n/an/an/an/an/an/a



The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354757
PNG
(US9814704, Example 34)
Show SMILES COc1cc(ccc1OCCN1CCNCC1)-c1cnc2n(cc(-c3ccc4[nH]ccc4c3)c2c1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C35H35N5O4S/c1-24-3-7-29(8-4-24)45(41,42)40-23-31(26-5-9-32-27(19-26)11-12-37-32)30-20-28(22-38-35(30)40)25-6-10-33(34(21-25)43-2)44-18-17-39-15-13-36-14-16-39/h3-12,19-23,36-37H,13-18H2,1-2H3
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354833
PNG
(1-(2,3-dihydro-1H-inden-2- yl)-6-(3,4,5- trimethox...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2[nH]c(=O)n(C3Cc4ccccc4C3)c2n1
Show InChI InChI=1S/C23H22N4O4/c1-29-18-10-15(11-19(30-2)20(18)31-3)17-12-24-21-22(25-17)27(23(28)26-21)16-8-13-6-4-5-7-14(13)9-16/h4-7,10-12,16H,8-9H2,1-3H3,(H,24,26,28)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354867
PNG
(Preparation of 4-{4-[3-(1H-indol-5-yl)-1H-pyrrolo[...)
Show SMILES CC(C)(C)OC(=O)N1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1
Show InChI InChI=1S/C31H31N5O2/c1-31(2,3)38-30(37)36-14-12-35(13-15-36)20-21-4-6-22(7-5-21)25-17-26-27(19-34-29(26)33-18-25)23-8-9-28-24(16-23)10-11-32-28/h4-11,16-19H,12-15,20H2,1-3H3/b27-23+
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354728
PNG
(Preparation of 4-(3-(1H-indol-5-yl)-1H-pyrrolo[2,3...)
Show SMILES COc1cc(ccc1N)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1
Show InChI InChI=1S/C22H16N4O/c1-27-21-10-13(2-4-19(21)23)16-9-17-18(12-26-22(17)25-11-16)14-3-5-20-15(8-14)6-7-24-20/h2-12H,23H2,1H3/b18-14+
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354749
PNG
(Preparation of 4-(5-(3,4-dimethoxyphenyl)-1H-pyrro...)
Show SMILES COc1ccc(cc1OC)-c1cnc2[nH]cc(-c3ccc(cc3)C(N)=O)c2c1
Show InChI InChI=1S/C22H19N3O3/c1-27-19-8-7-15(10-20(19)28-2)16-9-17-18(12-25-22(17)24-11-16)13-3-5-14(6-4-13)21(23)26/h3-12H,1-2H3,(H2,23,26)(H,24,25)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354756
PNG
(Preparation of 1-(4-(3-(1H-indol-5-yl)-1H-pyrrolo[...)
Show SMILES CN(C)Cc1ccc(cc1)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1
Show InChI InChI=1S/C24H20N4/c1-28(2)15-16-3-5-17(6-4-16)20-12-21-22(14-27-24(21)26-13-20)18-7-8-23-19(11-18)9-10-25-23/h3-14H,15H2,1-2H3/b22-18+
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354795
PNG
(1-(2-methyl-1H-indol-5-yl)- 6-(3,4,5-trimethoxyphe...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2[nH]c(=O)n(-c3ccc4[nH]c(C)cc4c3)c2n1
Show InChI InChI=1S/C23H21N5O4/c1-12-7-13-8-15(5-6-16(13)25-12)28-22-21(27-23(28)29)24-11-17(26-22)14-9-18(30-2)20(32-4)19(10-14)31-3/h5-11,25H,1-4H3,(H,24,27,29)
PDB

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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354742
PNG
(Preparation of N,N-dimethyl-5-(5-(3,4,5-trimethoxy...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2[nH]cc(-c3ccc(nc3)N(C)C)c2c1
Show InChI InChI=1S/C23H24N4O3/c1-27(2)21-7-6-14(11-24-21)18-13-26-23-17(18)8-16(12-25-23)15-9-19(28-3)22(30-5)20(10-15)29-4/h6-13H,1-5H3,(H,25,26)
PDB

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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354761
PNG
(Preparation of 4-(7-(1H-indol-5-yl)-5H-pyrrolo[3,2...)
Show SMILES COc1cc(ccc1N)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2n1
Show InChI InChI=1S/C21H15N5O/c1-27-19-9-13(2-4-16(19)22)18-11-25-21-20(26-18)15(10-24-21)12-3-5-17-14(8-12)6-7-23-17/h2-11H,22H2,1H3/b15-12+
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354785
PNG
(6-(4-hydroxy-3,5- dimethoxyphenyl)-1-(1H- indol-5-...)
Show SMILES COc1cc(cc(OC)c1O)-c1cnc2[nH]c(=O)n(-c3ccc4[nH]ccc4c3)c2n1
Show InChI InChI=1S/C21H17N5O4/c1-29-16-8-12(9-17(30-2)18(16)27)15-10-23-19-20(24-15)26(21(28)25-19)13-3-4-14-11(7-13)5-6-22-14/h3-10,22,27H,1-2H3,(H,23,25,28)
PDB

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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354797
PNG
(1-cyclopentyl-6-(3,4,5- trimethoxy phenyl)-1H- imi...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2[nH]c(=O)n(C3CCCC3)c2n1
Show InChI InChI=1S/C19H22N4O4/c1-25-14-8-11(9-15(26-2)16(14)27-3)13-10-20-17-18(21-13)23(19(24)22-17)12-6-4-5-7-12/h8-10,12H,4-7H2,1-3H3,(H,20,22,24)
PDB

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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354836
PNG
(1-(1H-indol-6-yl)-6-(3,4,5- trimethoxyphenyl)-1H- ...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2[nH]c(=O)n(-c3ccc4cc[nH]c4c3)c2n1
Show InChI InChI=1S/C22H19N5O4/c1-29-17-8-13(9-18(30-2)19(17)31-3)16-11-24-20-21(25-16)27(22(28)26-20)14-5-4-12-6-7-23-15(12)10-14/h4-11,23H,1-3H3,(H,24,26,28)
PDB

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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354866
PNG
(Preparation of 4-{3-[3-(1H-indol-5-yl)-1H-pyrrolo[...)
Show SMILES CN1CCN(Cc2cccc(c2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1=O
Show InChI InChI=1S/C27H23N5O/c1-31-9-10-32(17-26(31)33)16-18-3-2-4-19(11-18)22-13-23-24(15-30-27(23)29-14-22)20-5-6-25-21(12-20)7-8-28-25/h2-8,11-15H,9-10,16-17H2,1H3/b24-20+
PDB

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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354879
PNG
(Preparation of 4-{5-[3-(4-methyl-piperazin-1-ylmet...)
Show SMILES CN1CCN(Cc2cccc(c2)-c2cnc3[nH]cc(-c4ccc(cc4)C(N)=O)c3c2)CC1
Show InChI InChI=1S/C26H27N5O/c1-30-9-11-31(12-10-30)17-18-3-2-4-21(13-18)22-14-23-24(16-29-26(23)28-15-22)19-5-7-20(8-6-19)25(27)32/h2-8,13-16H,9-12,17H2,1H3,(H2,27,32)(H,28,29)
PDB

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n/an/a<100n/an/an/an/an/an/a



The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354731
PNG
(Preparation of 4-(3-(1H-indol-5-yl)-1H-pyrrolo[2,3...)
Show SMILES Nc1ccc(cc1)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1
Show InChI InChI=1S/C21H14N4/c22-17-4-1-13(2-5-17)16-10-18-19(12-25-21(18)24-11-16)14-3-6-20-15(9-14)7-8-23-20/h1-12H,22H2/b19-14+
PDB

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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354738
PNG
(Preparation of 4-(5-(3,4,5-trimethoxyphenyl)-1H-py...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2[nH]cc(-c3ccc(N)cc3)c2c1
Show InChI InChI=1S/C22H21N3O3/c1-26-19-9-14(10-20(27-2)21(19)28-3)15-8-17-18(12-25-22(17)24-11-15)13-4-6-16(23)7-5-13/h4-12H,23H2,1-3H3,(H,24,25)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354747
PNG
(Preparation of 3-(1-methyl-1H-indol-5-yl)-5-(3,4,5...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2[nH]cc(-c3ccc4n(C)ccc4c3)c2c1
Show InChI InChI=1S/C25H23N3O3/c1-28-8-7-16-9-15(5-6-21(16)28)20-14-27-25-19(20)10-18(13-26-25)17-11-22(29-2)24(31-4)23(12-17)30-3/h5-14H,1-4H3,(H,26,27)
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Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM356235
PNG
(BDBM50441572 | US9814704, Example 36)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1
Show InChI InChI=1S/C24H19N3O3/c1-28-21-10-16(11-22(29-2)23(21)30-3)17-9-18-19(13-27-24(18)26-12-17)14-4-5-20-15(8-14)6-7-25-20/h4-13H,1-3H3/b19-14+
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Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354778
PNG
(6-(4-hydroxy-3- methoxyphenyl)-1-(1H- indol-5-yl)-...)
Show SMILES COc1cc(ccc1O)-c1cnc2[nH]c(=O)n(-c3ccc4[nH]ccc4c3)c2n1
Show InChI InChI=1S/C20H15N5O3/c1-28-17-9-11(2-5-16(17)26)15-10-22-18-19(23-15)25(20(27)24-18)13-3-4-14-12(8-13)6-7-21-14/h2-10,21,26H,1H3,(H,22,24,27)
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Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354780
PNG
(1-(1H-indol-5-yl)-6-(3- methoxy-4-(2- morpholinoet...)
Show SMILES COc1cc(ccc1OCCN1CCOCC1)-c1cnc2[nH]c(=O)n(-c3ccc4[nH]ccc4c3)c2n1
Show InChI InChI=1S/C26H26N6O4/c1-34-23-15-17(2-5-22(23)36-13-10-31-8-11-35-12-9-31)21-16-28-24-25(29-21)32(26(33)30-24)19-3-4-20-18(14-19)6-7-27-20/h2-7,14-16,27H,8-13H2,1H3,(H,28,30,33)
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Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354835
PNG
(1-(1H-pyrrolo[2,3- b]pyridin-5-yl)-6-(3,4,5- trime...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2[nH]c(=O)n(-c3cnc4[nH]ccc4c3)c2n1
Show InChI InChI=1S/C21H18N6O4/c1-29-15-7-12(8-16(30-2)17(15)31-3)14-10-24-19-20(25-14)27(21(28)26-19)13-6-11-4-5-22-18(11)23-9-13/h4-10H,1-3H3,(H,22,23)(H,24,26,28)
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US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354871
PNG
(US9814704, Example 148)
Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cnc2[nH]cc(-c3ccc(cc3)C(N)=O)c2c1
Show InChI InChI=1S/C30H31N5O4/c1-30(2,3)39-29(38)35-14-12-34(13-15-35)28(37)22-10-4-19(5-11-22)23-16-24-25(18-33-27(24)32-17-23)20-6-8-21(9-7-20)26(31)36/h4-11,16-18H,12-15H2,1-3H3,(H2,31,36)(H,32,33)
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Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354874
PNG
(Preparation of 4-{3-[3-(4-carbamoyl-phenyl)-1H-pyr...)
Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c1cccc(c1)-c1cnc2[nH]cc(-c3ccc(cc3)C(N)=O)c2c1
Show InChI InChI=1S/C30H31N5O4/c1-30(2,3)39-29(38)35-13-11-34(12-14-35)28(37)22-6-4-5-21(15-22)23-16-24-25(18-33-27(24)32-17-23)19-7-9-20(10-8-19)26(31)36/h4-10,15-18H,11-14H2,1-3H3,(H2,31,36)(H,32,33)
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Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354881
PNG
(Preparation of 4-{5-[4-(4-methyl-3-oxo-piperazin-1...)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc(cc4)C(N)=O)c3c2)CC1=O
Show InChI InChI=1S/C26H25N5O2/c1-30-10-11-31(16-24(30)32)15-17-2-4-18(5-3-17)21-12-22-23(14-29-26(22)28-13-21)19-6-8-20(9-7-19)25(27)33/h2-9,12-14H,10-11,15-16H2,1H3,(H2,27,33)(H,28,29)
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US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354888
PNG
(Preparation of N-methyl-4-{5-[4-(4-methyl-piperazi...)
Show SMILES CNC(=O)c1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(CN2CCN(C)CC2)cc1
Show InChI InChI=1S/C27H29N5O/c1-28-27(33)22-9-7-21(8-10-22)25-17-30-26-24(25)15-23(16-29-26)20-5-3-19(4-6-20)18-32-13-11-31(2)12-14-32/h3-10,15-17H,11-14,18H2,1-2H3,(H,28,33)(H,29,30)
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US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354753
PNG
(US9814704, Example 30)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(-c2ccc3[nH]ccc3c2)c2cc(cnc12)-c1ccc(F)nc1
Show InChI InChI=1S/C27H19FN4O2S/c1-17-2-6-22(7-3-17)35(33,34)32-16-24(18-4-8-25-19(12-18)10-11-29-25)23-13-21(15-31-27(23)32)20-5-9-26(28)30-14-20/h2-16,29H,1H3
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US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354755
PNG
(US9814704, Example 32)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(-c2ccc3[nH]ccc3c2)c2cc(cnc12)-c1ccc(C=O)cc1
Show InChI InChI=1S/C29H21N3O3S/c1-19-2-9-25(10-3-19)36(34,35)32-17-27(22-8-11-28-23(14-22)12-13-30-28)26-15-24(16-31-29(26)32)21-6-4-20(18-33)5-7-21/h2-18,30H,1H3
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US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354760
PNG
(Preparation of 2-(3,4-dimethoxyphenyl)-7-(1H-indol...)
Show SMILES COc1ccc(cc1OC)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2n1
Show InChI InChI=1S/C22H16N4O2/c1-27-19-6-4-14(10-20(19)28-2)18-12-25-22-21(26-18)16(11-24-22)13-3-5-17-15(9-13)7-8-23-17/h3-12H,1-2H3/b16-13+
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US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM50441573
PNG
(CHEMBL2436979 | US9814704, Example 40)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2[nH]c(=O)n(-c3ccc4[nH]ccc4c3)c2n1
Show InChI InChI=1S/C22H19N5O4/c1-29-17-9-13(10-18(30-2)19(17)31-3)16-11-24-20-21(25-16)27(22(28)26-20)14-4-5-15-12(8-14)6-7-23-15/h4-11,23H,1-3H3,(H,24,26,28)
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Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354825
PNG
(1-(1H-benzo[d]imidazol-5- yl)-6-(3,4,5- trimethoxy...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2[nH]c(=O)n(-c3ccc4[nH]cnc4c3)c2n1
Show InChI InChI=1S/C21H18N6O4/c1-29-16-6-11(7-17(30-2)18(16)31-3)15-9-22-19-20(25-15)27(21(28)26-19)12-4-5-13-14(8-12)24-10-23-13/h4-10H,1-3H3,(H,23,24)(H,22,26,28)
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US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354865
PNG
(Preparation of 4-{4-[3-(1H-indol-5-yl)-1H-pyrrolo[...)
Show SMILES O=C1CN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CCN1
Show InChI InChI=1S/C26H21N5O/c32-25-16-31(10-9-28-25)15-17-1-3-18(4-2-17)21-12-22-23(14-30-26(22)29-13-21)19-5-6-24-20(11-19)7-8-27-24/h1-8,11-14H,9-10,15-16H2,(H,28,32)/b23-19+
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US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354726
PNG
(Preparation of N-(4-(3-(1H-indol-5-yl)-1H-pyrrolo[...)
Show SMILES CC(=O)Nc1ccc(cc1)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1
Show InChI InChI=1S/C23H16N4O/c1-14(28)27-19-5-2-15(3-6-19)18-11-20-21(13-26-23(20)25-12-18)16-4-7-22-17(10-16)8-9-24-22/h2-13H,1H3,(H,27,28)/b21-16+
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US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354739
PNG
(Preparation of N-(4-(5-(3,4,5-trimethoxyphenyl)-1H...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2[nH]cc(-c3ccc(NC(C)=O)cc3)c2c1
Show InChI InChI=1S/C24H23N3O4/c1-14(28)27-18-7-5-15(6-8-18)20-13-26-24-19(20)9-17(12-25-24)16-10-21(29-2)23(31-4)22(11-16)30-3/h5-13H,1-4H3,(H,25,26)(H,27,28)
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US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM50441571
PNG
(CHEMBL2436982 | US9814704, Example 18)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2[nH]cc(-c3ccc(N)nc3)c2c1
Show InChI InChI=1S/C21H20N4O3/c1-26-17-7-13(8-18(27-2)20(17)28-3)14-6-15-16(11-25-21(15)24-10-14)12-4-5-19(22)23-9-12/h4-11H,1-3H3,(H2,22,23)(H,24,25)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354782
PNG
(6-(3,5-difluoro-4- hydroxyphenyl)-1-(1H- indol-5-y...)
Show SMILES Oc1c(F)cc(cc1F)-c1cnc2[nH]c(=O)n(-c3ccc4[nH]ccc4c3)c2n1
Show InChI InChI=1S/C19H11F2N5O2/c20-12-6-10(7-13(21)16(12)27)15-8-23-17-18(24-15)26(19(28)25-17)11-1-2-14-9(5-11)3-4-22-14/h1-8,22,27H,(H,23,25,28)
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Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354783
PNG
(6-(4-amino-3- methoxyphenyl)-1-(1H- indol-5-yl)-1H...)
Show SMILES COc1cc(ccc1N)-c1cnc2[nH]c(=O)n(-c3ccc4[nH]ccc4c3)c2n1
Show InChI InChI=1S/C20H16N6O2/c1-28-17-9-11(2-4-14(17)21)16-10-23-18-19(24-16)26(20(27)25-18)13-3-5-15-12(8-13)6-7-22-15/h2-10,22H,21H2,1H3,(H,23,25,27)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354869
PNG
(Preparation of 1-(4-{4-[3-(1H-indol-5-yl)-1H-pyrro...)
Show SMILES CC(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1
Show InChI InChI=1S/C28H23N5O2/c1-18(34)32-10-12-33(13-11-32)28(35)20-4-2-19(3-5-20)23-15-24-25(17-31-27(24)30-16-23)21-6-7-26-22(14-21)8-9-29-26/h2-9,14-17H,10-13H2,1H3/b25-21+
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354872
PNG
(Preparation of 4-{5-[4-(piperazine-1-carbonyl)-phe...)
Show SMILES NC(=O)c1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(cc1)C(=O)N1CC[NH2+]CC1
Show InChI InChI=1S/C25H23N5O2/c26-23(31)18-5-3-17(4-6-18)22-15-29-24-21(22)13-20(14-28-24)16-1-7-19(8-2-16)25(32)30-11-9-27-10-12-30/h1-8,13-15,27H,9-12H2,(H2,26,31)(H,28,29)/p+1
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM50441569
PNG
(CHEMBL2436981 | US9814704, Example 4)
Show SMILES Nc1ccc(cn1)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1
Show InChI InChI=1S/C20H15N5/c21-19-4-2-14(9-23-19)15-8-16-17(11-25-20(16)24-10-15)12-1-3-18-13(7-12)5-6-22-18/h1-11,22H,(H2,21,23)(H,24,25)
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n/an/a<100n/an/an/an/an/an/a



The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM50441568
PNG
(CHEMBL2436983 | US9814704, Example 9)
Show SMILES Nc1ncc(cn1)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1
Show InChI InChI=1S/C19H14N6/c20-19-24-8-14(9-25-19)13-6-15-16(10-23-18(15)22-7-13)11-1-2-17-12(5-11)3-4-21-17/h1-10,21H,(H,22,23)(H2,20,24,25)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354734
PNG
(Preparation of N-(4-(3-(1H-indol-5-yl)-1H-pyrrolo[...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1
Show InChI InChI=1S/C22H16N4O2S/c1-29(27,28)26-18-5-2-14(3-6-18)17-11-19-20(13-25-22(19)24-12-17)15-4-7-21-16(10-15)8-9-23-21/h2-13,26H,1H3/b20-15+
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354748
PNG
(Preparation of 4-(5-(3,4,5-trimethoxyphenyl)-1H-py...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2[nH]cc(-c3ccc(cc3)C(N)=O)c2c1
Show InChI InChI=1S/C23H21N3O4/c1-28-19-9-15(10-20(29-2)21(19)30-3)16-8-17-18(12-26-23(17)25-11-16)13-4-6-14(7-5-13)22(24)27/h4-12H,1-3H3,(H2,24,27)(H,25,26)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354762
PNG
(Preparation of 4-(2-(4-(7-(1H-indol-5-yl)-5H-pyrro...)
Show SMILES COc1cc(ccc1OCCN1CCOCC1)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2n1
Show InChI InChI=1S/C27H25N5O3/c1-33-25-15-19(3-5-24(25)35-13-10-32-8-11-34-12-9-32)23-17-30-27-26(31-23)21(16-29-27)18-2-4-22-20(14-18)6-7-28-22/h2-7,14-17H,8-13H2,1H3/b21-18+
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354864
PNG
(Preparation of 4-{4-[3-(1H-indol-5-yl)-1H-pyrrolo[...)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1=O
Show InChI InChI=1S/C27H23N5O/c1-31-10-11-32(17-26(31)33)16-18-2-4-19(5-3-18)22-13-23-24(15-30-27(23)29-14-22)20-6-7-25-21(12-20)8-9-28-25/h2-9,12-15H,10-11,16-17H2,1H3/b24-20+
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM50441570
PNG
(CHEMBL2436976 | US9814704, Example 17)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2[nH]cc(-c3cnc(N)nc3)c2c1
Show InChI InChI=1S/C20H19N5O3/c1-26-16-5-11(6-17(27-2)18(16)28-3)12-4-14-15(10-23-19(14)22-7-12)13-8-24-20(21)25-9-13/h4-10H,1-3H3,(H,22,23)(H2,21,24,25)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354725
PNG
(Preparation of 5-(3,4-dimethoxyphenyl)-3-(1H-indol...)
Show SMILES COc1ccc(cc1OC)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1
Show InChI InChI=1S/C23H17N3O2/c1-27-21-6-4-14(11-22(21)28-2)17-10-18-19(13-26-23(18)25-12-17)15-3-5-20-16(9-15)7-8-24-20/h3-13H,1-2H3/b19-15+
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354751
PNG
(Preparation of 4-(5-(6-aminopyridin-3-yl)-1H-pyrro...)
Show SMILES NC(=O)c1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(N)nc1
Show InChI InChI=1S/C19H15N5O/c20-17-6-5-13(8-22-17)14-7-15-16(10-24-19(15)23-9-14)11-1-3-12(4-2-11)18(21)25/h1-10H,(H2,20,22)(H2,21,25)(H,23,24)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354754
PNG
(Preparation of 5-(3-(1H-indol-5-yl)-1H-pyrrolo[2,3...)
Show SMILES C(CN1CCCC1)Nc1ccc(cn1)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1
Show InChI InChI=1S/C26H24N6/c1-2-11-32(10-1)12-9-28-25-6-4-20(15-29-25)21-14-22-23(17-31-26(22)30-16-21)18-3-5-24-19(13-18)7-8-27-24/h3-8,13-17H,1-2,9-12H2,(H,28,29)/b23-18+
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354781
PNG
(6-(2,5-difluoro-4- hydroxyphenyl)-1-(1H- indol-5-y...)
Show SMILES Oc1cc(F)c(cc1F)-c1cnc2[nH]c(=O)n(-c3ccc4[nH]ccc4c3)c2n1
Show InChI InChI=1S/C19H11F2N5O2/c20-12-7-16(27)13(21)6-11(12)15-8-23-17-18(24-15)26(19(28)25-17)10-1-2-14-9(5-10)3-4-22-14/h1-8,22,27H,(H,23,25,28)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354799
PNG
(1-cyclopentyl-6-(4- hydroxyphenyl)-1H- imidazo[4,5...)
Show SMILES Oc1ccc(cc1)-c1cnc2[nH]c(=O)n(C3CCCC3)c2n1
Show InChI InChI=1S/C16H16N4O2/c21-12-7-5-10(6-8-12)13-9-17-14-15(18-13)20(16(22)19-14)11-3-1-2-4-11/h5-9,11,21H,1-4H2,(H,17,19,22)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354847
PNG
(US9814704, Example 124)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2[nH]c(=O)n(-c3ccc4NCCc4c3)c2c1
Show InChI InChI=1S/C23H22N4O4/c1-29-19-10-14(11-20(30-2)21(19)31-3)15-9-18-22(25-12-15)26-23(28)27(18)16-4-5-17-13(8-16)6-7-24-17/h4-5,8-12,24H,6-7H2,1-3H3,(H,25,26,28)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354875
PNG
(Preparation of 4-{5-[3-(piperazine-1-carbonyl)-phe...)
Show SMILES NC(=O)c1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1cccc(c1)C(=O)N1CC[NH2+]CC1
Show InChI InChI=1S/C25H23N5O2/c26-23(31)17-6-4-16(5-7-17)22-15-29-24-21(22)13-20(14-28-24)18-2-1-3-19(12-18)25(32)30-10-8-27-9-11-30/h1-7,12-15,27H,8-11H2,(H2,26,31)(H,28,29)/p+1
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354876
PNG
(Preparation of 4-{5-[3-(4-acetyl-piperazine-1-carb...)
Show SMILES CC(=O)N1CCN(CC1)C(=O)c1cccc(c1)-c1cnc2[nH]cc(-c3ccc(cc3)C(N)=O)c2c1
Show InChI InChI=1S/C27H25N5O3/c1-17(33)31-9-11-32(12-10-31)27(35)21-4-2-3-20(13-21)22-14-23-24(16-30-26(23)29-15-22)18-5-7-19(8-6-18)25(28)34/h2-8,13-16H,9-12H2,1H3,(H2,28,34)(H,29,30)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354884
PNG
(Preparation of 3-phenyl-N-{4-[5-(3,4,5-trimethoxy-...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2[nH]cc(-c3ccc(CNC(=O)CCc4ccccc4)cc3)c2c1
Show InChI InChI=1S/C32H31N3O4/c1-37-28-16-24(17-29(38-2)31(28)39-3)25-15-26-27(20-35-32(26)34-19-25)23-12-9-22(10-13-23)18-33-30(36)14-11-21-7-5-4-6-8-21/h4-10,12-13,15-17,19-20H,11,14,18H2,1-3H3,(H,33,36)(H,34,35)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354890
PNG
(US9814704, Example 167)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2[nH]cc(-c3ccc(cc3)-c3ncc[nH]3)c2c1
Show InChI InChI=1S/C25H20N4O3/c1-30-21-11-17(12-22(31-2)23(21)32-3)18-10-19-20(14-29-25(19)28-13-18)15-4-6-16(7-5-15)24-26-8-9-27-24/h4-14H,1-3H3
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354737
PNG
(Preparation of 3-(1H-indol-5-yl)-5-phenyl-1H-pyrro...)
Show SMILES c1cc2cc(ccc2[nH]1)-c1c[nH]c2ncc(cc12)-c1ccccc1
Show InChI InChI=1S/C21H13N3/c1-2-4-14(5-3-1)17-11-18-19(13-24-21(18)23-12-17)15-6-7-20-16(10-15)8-9-22-20/h1-13H/b19-15+
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354744
PNG
(Preparation of 5,5′-(1H-pyrrolo[2,3-b]pyridi...)
Show SMILES CN(C)c1ccc(cn1)-c1c[nH]c2ncc(cc12)-c1ccc(nc1)N(C)C
Show InChI InChI=1S/C21H22N6/c1-26(2)19-7-5-14(10-22-19)16-9-17-18(13-25-21(17)24-12-16)15-6-8-20(23-11-15)27(3)4/h5-13H,1-4H3,(H,24,25)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354750
PNG
(Preparation of 4-(5-(4-amino-3-methoxyphenyl)-1H-p...)
Show SMILES COc1cc(ccc1N)-c1cnc2[nH]cc(-c3ccc(cc3)C(N)=O)c2c1
Show InChI InChI=1S/C21H18N4O2/c1-27-19-9-14(6-7-18(19)22)15-8-16-17(11-25-21(16)24-10-15)12-2-4-13(5-3-12)20(23)26/h2-11H,22H2,1H3,(H2,23,26)(H,24,25)
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US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354773
PNG
(6-(3-amino-4- methoxyphenyl)-1-(1H- indol-5-yl)-1H...)
Show SMILES COc1ccc(cc1N)-c1cnc2[nH]c(=O)n(-c3ccc4[nH]ccc4c3)c2n1
Show InChI InChI=1S/C20H16N6O2/c1-28-17-5-2-11(9-14(17)21)16-10-23-18-19(24-16)26(20(27)25-18)13-3-4-15-12(8-13)6-7-22-15/h2-10,22H,21H2,1H3,(H,23,25,27)
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US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354775
PNG
(1-(1H-indol-5-yl)-6-(4- morpholinophenyl)-1H- imid...)
Show SMILES O=c1[nH]c2ncc(nc2n1-c1ccc2[nH]ccc2c1)-c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C23H20N6O2/c30-23-27-21-22(29(23)18-5-6-19-16(13-18)7-8-24-19)26-20(14-25-21)15-1-3-17(4-2-15)28-9-11-31-12-10-28/h1-8,13-14,24H,9-12H2,(H,25,27,30)
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US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354802
PNG
(1-(cyclopropylmethyl)-6- (3,4-dimethoxyphenyl)-1H-...)
Show SMILES COc1ccc(cc1OC)-c1cnc2[nH]c(=O)n(CC3CC3)c2n1
Show InChI InChI=1S/C17H18N4O3/c1-23-13-6-5-11(7-14(13)24-2)12-8-18-15-16(19-12)21(17(22)20-15)9-10-3-4-10/h5-8,10H,3-4,9H2,1-2H3,(H,18,20,22)
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US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354854
PNG
(Preparation of 4-[2-oxo-5-(3,4,5-trimethoxy-phenyl...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2NC(=O)C(=Cc3ccc(cc3)C(N)=O)c2c1
Show InChI InChI=1S/C24H21N3O5/c1-30-19-10-15(11-20(31-2)21(19)32-3)16-9-17-18(24(29)27-23(17)26-12-16)8-13-4-6-14(7-5-13)22(25)28/h4-12H,1-3H3,(H2,25,28)(H,26,27,29)
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Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354868
PNG
(US9814704, Example 145)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1
Show InChI InChI=1S/C27H23N5O/c1-31-10-12-32(13-11-31)27(33)19-4-2-18(3-5-19)22-15-23-24(17-30-26(23)29-16-22)20-6-7-25-21(14-20)8-9-28-25/h2-9,14-17H,10-13H2,1H3/b24-20+
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US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354889
PNG
(US9814704, Example 166)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2[nH]cc(-c3ccc(F)cc3)c2c1
Show InChI InChI=1S/C22H19FN2O3/c1-26-19-9-14(10-20(27-2)21(19)28-3)15-8-17-18(12-25-22(17)24-11-15)13-4-6-16(23)7-5-13/h4-12H,1-3H3,(H,24,25)
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US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354729
PNG
(Preparation of 3-(1H-indol-5-yl)-5-(6-methoxypyrid...)
Show SMILES COc1ccc(cn1)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1
Show InChI InChI=1S/C21H14N4O/c1-26-20-5-3-15(10-23-20)16-9-17-18(12-25-21(17)24-11-16)13-2-4-19-14(8-13)6-7-22-19/h2-12H,1H3/b18-13+
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US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354768
PNG
(Preparation of 6-(4-hydroxyphenyl)-1-(1H-indol-5-y...)
Show SMILES Oc1ccc(cc1)-c1cnc2[nH]c(=O)n(-c3ccc4[nH]ccc4c3)c2n1
Show InChI InChI=1S/C19H13N5O2/c25-14-4-1-11(2-5-14)16-10-21-17-18(22-16)24(19(26)23-17)13-3-6-15-12(9-13)7-8-20-15/h1-10,20,25H,(H,21,23,26)
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US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354801
PNG
(1-(cyclopropylmethyl)-6- (3,4,5-trimethoxyphenyl)-...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2[nH]c(=O)n(CC3CC3)c2n1
Show InChI InChI=1S/C18H20N4O4/c1-24-13-6-11(7-14(25-2)15(13)26-3)12-8-19-16-17(20-12)22(18(23)21-16)9-10-4-5-10/h6-8,10H,4-5,9H2,1-3H3,(H,19,21,23)
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US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354827
PNG
(1-(1H-benzo[d]imidazol-5- yl)-6-(4- morpholinophen...)
Show SMILES O=c1[nH]c2ncc(nc2n1-c1ccc2[nH]cnc2c1)-c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C22H19N7O2/c30-22-27-20-21(29(22)16-5-6-17-18(11-16)25-13-24-17)26-19(12-23-20)14-1-3-15(4-2-14)28-7-9-31-10-8-28/h1-6,11-13H,7-10H2,(H,24,25)(H,23,27,30)
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US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354837
PNG
(1-(4-hydroxyphenyl)-6- (3,4,5-trimethoxyphenyl)- 1...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2[nH]c(=O)n(-c3ccc(O)cc3)c2n1
Show InChI InChI=1S/C20H18N4O5/c1-27-15-8-11(9-16(28-2)17(15)29-3)14-10-21-18-19(22-14)24(20(26)23-18)12-4-6-13(25)7-5-12/h4-10,25H,1-3H3,(H,21,23,26)
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US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354843
PNG
(US9814704, Example 120)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2NC(=O)C(C)(C)c2c1
Show InChI InChI=1S/C18H20N2O4/c1-18(2)12-6-11(9-19-16(12)20-17(18)21)10-7-13(22-3)15(24-5)14(8-10)23-4/h6-9H,1-5H3,(H,19,20,21)
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US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354736
PNG
(Preparation of 5-(3-(1H-indol-5-yl)-1H-pyrrolo[2,3...)
Show SMILES CN(C)c1ccc(cn1)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1
Show InChI InChI=1S/C22H17N5/c1-27(2)21-6-4-16(11-24-21)17-10-18-19(13-26-22(18)25-12-17)14-3-5-20-15(9-14)7-8-23-20/h3-13H,1-2H3/b19-14+
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US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354746
PNG
(Preparation of 5-(3-(4-aminophenyl)-1H-pyrrolo[2,3...)
Show SMILES Nc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(N)nc1
Show InChI InChI=1S/C18H15N5/c19-14-4-1-11(2-5-14)16-10-23-18-15(16)7-13(9-22-18)12-3-6-17(20)21-8-12/h1-10H,19H2,(H2,20,21)(H,22,23)
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US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354770
PNG
(6-(3,4-dimethoxyphenyl)-1- (1H-indol-5-yl)-1H- imi...)
Show SMILES COc1ccc(cc1OC)-c1cnc2[nH]c(=O)n(-c3ccc4[nH]ccc4c3)c2n1
Show InChI InChI=1S/C21H17N5O3/c1-28-17-6-3-12(10-18(17)29-2)16-11-23-19-20(24-16)26(21(27)25-19)14-4-5-15-13(9-14)7-8-22-15/h3-11,22H,1-2H3,(H,23,25,27)
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US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354786
PNG
(6-(2,3- dihydrobenzo[b][1,4]dioxin- 6-yl)-1-(1H-in...)
Show SMILES O=c1[nH]c2ncc(nc2n1-c1ccc2[nH]ccc2c1)-c1ccc2OCCOc2c1
Show InChI InChI=1S/C21H15N5O3/c27-21-25-19-20(26(21)14-2-3-15-13(9-14)5-6-22-15)24-16(11-23-19)12-1-4-17-18(10-12)29-8-7-28-17/h1-6,9-11,22H,7-8H2,(H,23,25,27)
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US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354831
PNG
(1-cyclopentyl-6-(3- methoxy-4-(2- morpholinoethoxy...)
Show SMILES COc1cc(ccc1OCCN1CCOCC1)-c1cnc2[nH]c(=O)n(C3CCCC3)c2n1
Show InChI InChI=1S/C23H29N5O4/c1-30-20-14-16(6-7-19(20)32-13-10-27-8-11-31-12-9-27)18-15-24-21-22(25-18)28(23(29)26-21)17-4-2-3-5-17/h6-7,14-15,17H,2-5,8-13H2,1H3,(H,24,26,29)
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US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354841
PNG
(6-(4-amino-3- methoxyphenyl)-1- cyclopentyl-1H- im...)
Show SMILES COc1cc(cnc1N)-c1cnc2[nH]c(=O)n(C3CCCC3)c2n1
Show InChI InChI=1S/C16H18N6O2/c1-24-12-6-9(7-18-13(12)17)11-8-19-14-15(20-11)22(16(23)21-14)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H2,17,18)(H,19,21,23)
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US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354883
PNG
(Preparation of 2-phenyl-N-{4-[5-(3,4,5-trimethoxy-...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2[nH]cc(-c3ccc(CNC(=O)Cc4ccccc4)cc3)c2c1
Show InChI InChI=1S/C31H29N3O4/c1-36-27-15-23(16-28(37-2)30(27)38-3)24-14-25-26(19-34-31(25)33-18-24)22-11-9-21(10-12-22)17-32-29(35)13-20-7-5-4-6-8-20/h4-12,14-16,18-19H,13,17H2,1-3H3,(H,32,35)(H,33,34)
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US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354776
PNG
(1,6-di(1H-indol-5-yl)-1H- imidazo[4,5-b]pyrazin- 2...)
Show SMILES O=c1[nH]c2ncc(nc2n1-c1ccc2[nH]ccc2c1)-c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C21H14N6O/c28-21-26-19-20(27(21)15-2-4-17-14(10-15)6-8-23-17)25-18(11-24-19)12-1-3-16-13(9-12)5-7-22-16/h1-11,22-23H,(H,24,26,28)
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US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354777
PNG
(6-(3-hydroxyphenyl)-1-(1H- indol-5-yl)-1H-imidazo[...)
Show SMILES Oc1cccc(c1)-c1cnc2[nH]c(=O)n(-c3ccc4[nH]ccc4c3)c2n1
Show InChI InChI=1S/C19H13N5O2/c25-14-3-1-2-11(9-14)16-10-21-17-18(22-16)24(19(26)23-17)13-4-5-15-12(8-13)6-7-20-15/h1-10,20,25H,(H,21,23,26)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354791
PNG
(1-(4-methoxyphenyl)-6- (3,4,5-trimethoxyphenyl)- 1...)
Show SMILES COc1ccc(cc1)-n1c2nc(cnc2[nH]c1=O)-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C21H20N4O5/c1-27-14-7-5-13(6-8-14)25-20-19(24-21(25)26)22-11-15(23-20)12-9-16(28-2)18(30-4)17(10-12)29-3/h5-11H,1-4H3,(H,22,24,26)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354819
PNG
(1-(benzo[d]thiazol-5-yl)-6- (3,4,5-trimethoxypheny...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2[nH]c(=O)n(-c3ccc4scnc4c3)c2n1
Show InChI InChI=1S/C21H17N5O4S/c1-28-15-6-11(7-16(29-2)18(15)30-3)14-9-22-19-20(24-14)26(21(27)25-19)12-4-5-17-13(8-12)23-10-31-17/h4-10H,1-3H3,(H,22,25,27)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354826
PNG
(1-(1H-benzo[d]imidazol-5- yl)-6-(3,4- dimethoxyphe...)
Show SMILES COc1ccc(cc1OC)-c1cnc2[nH]c(=O)n(-c3ccc4[nH]cnc4c3)c2n1
Show InChI InChI=1S/C20H16N6O3/c1-28-16-6-3-11(7-17(16)29-2)15-9-21-18-19(24-15)26(20(27)25-18)12-4-5-13-14(8-12)23-10-22-13/h3-10H,1-2H3,(H,22,23)(H,21,25,27)
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US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354851
PNG
(US9814704, Example 128)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2NC(=O)\C(=C\c3cccnc3)c2c1
Show InChI InChI=1S/C22H19N3O4/c1-27-18-9-14(10-19(28-2)20(18)29-3)15-8-16-17(7-13-5-4-6-23-11-13)22(26)25-21(16)24-12-15/h4-12H,1-3H3,(H,24,25,26)/b17-7+
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354873
PNG
(Preparation of 4-{5-[4-(4-acetyl-piperazine-1-carb...)
Show SMILES CC(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cnc2[nH]cc(-c3ccc(cc3)C(N)=O)c2c1
Show InChI InChI=1S/C27H25N5O3/c1-17(33)31-10-12-32(13-11-31)27(35)21-8-2-18(3-9-21)22-14-23-24(16-30-26(23)29-15-22)19-4-6-20(7-5-19)25(28)34/h2-9,14-16H,10-13H2,1H3,(H2,28,34)(H,29,30)
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US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354790
PNG
(1-(1H-indol-5-yl)-6-(3- methoxy-4-(2-(piperazin-1-...)
Show SMILES COc1cc(ccc1OCCN1CCNCC1)-c1cnc2[nH]c(=O)n(-c3ccc4[nH]ccc4c3)c2n1
Show InChI InChI=1S/C26H27N7O3/c1-35-23-15-17(2-5-22(23)36-13-12-32-10-8-27-9-11-32)21-16-29-24-25(30-21)33(26(34)31-24)19-3-4-20-18(14-19)6-7-28-20/h2-7,14-16,27-28H,8-13H2,1H3,(H,29,31,34)
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US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354795
PNG
(1-(2-methyl-1H-indol-5-yl)- 6-(3,4,5-trimethoxyphe...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2[nH]c(=O)n(-c3ccc4[nH]c(C)cc4c3)c2n1
Show InChI InChI=1S/C23H21N5O4/c1-12-7-13-8-15(5-6-16(13)25-12)28-22-21(27-23(28)29)24-11-17(26-22)14-9-18(30-2)20(32-4)19(10-14)31-3/h5-11,25H,1-4H3,(H,24,27,29)
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US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354816
PNG
(1-(1H-indazol-6-yl)-6- (pyridin-4-yl)-1H- imidazo[...)
Show SMILES O=c1[nH]c2ncc(nc2n1-c1ccc2cn[nH]c2c1)-c1ccncc1
Show InChI InChI=1S/C17H11N7O/c25-17-22-15-16(21-14(9-19-15)10-3-5-18-6-4-10)24(17)12-2-1-11-8-20-23-13(11)7-12/h1-9H,(H,20,23)(H,19,22,25)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354828
PNG
(1-phenyl-6-(3,4,5- trimethoxyphenyl)-1H- imidazo[4...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2[nH]c(=O)n(-c3ccccc3)c2n1
Show InChI InChI=1S/C20H18N4O4/c1-26-15-9-12(10-16(27-2)17(15)28-3)14-11-21-18-19(22-14)24(20(25)23-18)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,21,23,25)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354830
PNG
(1-(cyclopropylmethyl)-6-(3- methoxy-4-(2- morpholi...)
Show SMILES COc1cc(ccc1OCCN1CCOCC1)-c1cnc2[nH]c(=O)n(CC3CC3)c2n1
Show InChI InChI=1S/C22H27N5O4/c1-29-19-12-16(4-5-18(19)31-11-8-26-6-9-30-10-7-26)17-13-23-20-21(24-17)27(22(28)25-20)14-15-2-3-15/h4-5,12-13,15H,2-3,6-11,14H2,1H3,(H,23,25,28)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354877
PNG
(Preparation of 4-[7-oxy-5-(3,4,5-trimethoxy-phenyl...)
Show SMILES COc1cc(cc(OC)c1OC)-c1c[n+]([O-])c2[nH]cc(-c3ccc(cc3)C(N)=O)c2c1
Show InChI InChI=1S/C23H21N3O5/c1-29-19-9-15(10-20(30-2)21(19)31-3)16-8-17-18(11-25-23(17)26(28)12-16)13-4-6-14(7-5-13)22(24)27/h4-12,25H,1-3H3,(H2,24,27)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354878
PNG
(Preparation of 4-{5-[4-(4-methyl-piperazin-1-ylmet...)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc(cc4)C(N)=O)c3c2)CC1
Show InChI InChI=1S/C26H27N5O/c1-30-10-12-31(13-11-30)17-18-2-4-19(5-3-18)22-14-23-24(16-29-26(23)28-15-22)20-6-8-21(9-7-20)25(27)32/h2-9,14-16H,10-13,17H2,1H3,(H2,27,32)(H,28,29)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354724
PNG
(US9814704, Example 1)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2ncc(-c3ccc4[nH]ccc4c3)c2c1
Show InChI InChI=1S/C24H19N3O3/c1-28-21-10-16(11-22(29-2)23(21)30-3)17-9-18-19(13-27-24(18)26-12-17)14-4-5-20-15(8-14)6-7-25-20/h4-13H,1-3H3/b19-14+
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354764
PNG
(Preparation of 1-(1-methyl-1H-indol-5-yl)-6-(3,4,5...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2[nH]c(=O)n(-c3ccc4n(C)ccc4c3)c2n1
Show InChI InChI=1S/C23H21N5O4/c1-27-8-7-13-9-15(5-6-17(13)27)28-22-21(26-23(28)29)24-12-16(25-22)14-10-18(30-2)20(32-4)19(11-14)31-3/h5-12H,1-4H3,(H,24,26,29)
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US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354774
PNG
(1-(1H-indol-5-yl)-6-(4- methoxy-3,5- dimethylpheny...)
Show SMILES Cc1cc(cc(C)c1O)-c1cnc2[nH]c(=O)n(-c3ccc4[nH]ccc4c3)c2n1
Show InChI InChI=1S/C21H17N5O2/c1-11-7-14(8-12(2)18(11)27)17-10-23-19-20(24-17)26(21(28)25-19)15-3-4-16-13(9-15)5-6-22-16/h3-10,22,27H,1-2H3,(H,23,25,28)
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US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354813
PNG
(1-(1H-indazol-6-yl)-6- (3,4,5-trimethoxyphenyl)- 1...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2[nH]c(=O)n(-c3ccc4cn[nH]c4c3)c2n1
Show InChI InChI=1S/C21H18N6O4/c1-29-16-6-12(7-17(30-2)18(16)31-3)15-10-22-19-20(24-15)27(21(28)25-19)13-5-4-11-9-23-26-14(11)8-13/h4-10H,1-3H3,(H,23,26)(H,22,25,28)
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US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354820
PNG
(1-(benzo[d]thiazol-5-yl)-6- (4-hydroxyphenyl)-1H- ...)
Show SMILES Oc1ccc(cc1)-c1cnc2[nH]c(=O)n(-c3ccc4scnc4c3)c2n1
Show InChI InChI=1S/C18H11N5O2S/c24-12-4-1-10(2-5-12)14-8-19-16-17(21-14)23(18(25)22-16)11-3-6-15-13(7-11)20-9-26-15/h1-9,24H,(H,19,22,25)
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US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354829
PNG
(6-(3,4-dimethoxyphenyl)-1- phenyl-1H-imidazo[4,5- ...)
Show SMILES COc1ccc(cc1OC)-c1cnc2[nH]c(=O)n(-c3ccccc3)c2n1
Show InChI InChI=1S/C19H16N4O3/c1-25-15-9-8-12(10-16(15)26-2)14-11-20-17-18(21-14)23(19(24)22-17)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,20,22,24)
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US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354834
PNG
(6-(3,4-dimethoxyphenyl)-1- (1H-pyrrolo[2,3-b]pyrid...)
Show SMILES COc1ccc(cc1OC)-c1cnc2[nH]c(=O)n(-c3cnc4[nH]ccc4c3)c2n1
Show InChI InChI=1S/C20H16N6O3/c1-28-15-4-3-11(8-16(15)29-2)14-10-23-18-19(24-14)26(20(27)25-18)13-7-12-5-6-21-17(12)22-9-13/h3-10H,1-2H3,(H,21,22)(H,23,25,27)
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US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354844
PNG
(US9814704, Example 121)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2NC(=O)C3(CCCC3)c2c1
Show InChI InChI=1S/C20H22N2O4/c1-24-15-9-12(10-16(25-2)17(15)26-3)13-8-14-18(21-11-13)22-19(23)20(14)6-4-5-7-20/h8-11H,4-7H2,1-3H3,(H,21,22,23)
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n/an/a 550n/an/an/an/an/an/a



The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354733
PNG
(Preparation of 3-(1H-indol-5-yl)-5-(6-(piperazin-1...)
Show SMILES C1CN(CCN1)c1ccc(cn1)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1
Show InChI InChI=1S/C24H20N6/c1-3-22-17(5-6-26-22)11-16(1)21-15-29-24-20(21)12-19(14-28-24)18-2-4-23(27-13-18)30-9-7-25-8-10-30/h1-6,11-15,25H,7-10H2/b21-16+
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354735
PNG
(Preparation of 3,5-di(1H-indol-5-yl)-1H-pyrrolo[2,...)
Show SMILES c1cc2cc(ccc2[nH]1)-c1c[nH]c2ncc(cc12)-c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C23H16N4/c1-3-21-16(5-7-24-21)9-14(1)18-11-19-20(13-27-23(19)26-12-18)15-2-4-22-17(10-15)6-8-25-22/h1-13,24-25H,(H,26,27)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354807
PNG
(6-(4-hydroxyphenyl)-1-(2- methyl-1H-indol-5-yl)-1H...)
Show SMILES Cc1cc2cc(ccc2[nH]1)-n1c2nc(cnc2[nH]c1=O)-c1ccc(O)cc1
Show InChI InChI=1S/C20H15N5O2/c1-11-8-13-9-14(4-7-16(13)22-11)25-19-18(24-20(25)27)21-10-17(23-19)12-2-5-15(26)6-3-12/h2-10,22,26H,1H3,(H,21,24,27)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354814
PNG
(6-(3,4-dimethoxyphenyl)-1- (1H-indazol-6-yl)-1H- i...)
Show SMILES COc1ccc(cc1OC)-c1cnc2[nH]c(=O)n(-c3ccc4cn[nH]c4c3)c2n1
Show InChI InChI=1S/C20H16N6O3/c1-28-16-6-4-11(7-17(16)29-2)15-10-21-18-19(23-15)26(20(27)24-18)13-5-3-12-9-22-25-14(12)8-13/h3-10H,1-2H3,(H,22,25)(H,21,24,27)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354838
PNG
(6-(3,4-dimethoxyphenyl)-1- (4-hydroxyphenyl)-1H- i...)
Show SMILES COc1ccc(cc1OC)-c1cnc2[nH]c(=O)n(-c3ccc(O)cc3)c2n1
Show InChI InChI=1S/C19H16N4O4/c1-26-15-8-3-11(9-16(15)27-2)14-10-20-17-18(21-14)23(19(25)22-17)12-4-6-13(24)7-5-12/h3-10,24H,1-2H3,(H,20,22,25)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354839
PNG
(1-(4-hydroxyphenyl)-6-(4- morpholinophenyl)-1H- im...)
Show SMILES Oc1ccc(cc1)-n1c2nc(cnc2[nH]c1=O)-c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C21H19N5O3/c27-17-7-5-16(6-8-17)26-20-19(24-21(26)28)22-13-18(23-20)14-1-3-15(4-2-14)25-9-11-29-12-10-25/h1-8,13,27H,9-12H2,(H,22,24,28)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354846
PNG
(US9814704, Example 123)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2NC(=O)C(CC3CC3)(CC3CC3)c2c1
Show InChI InChI=1S/C24H28N2O4/c1-28-19-9-16(10-20(29-2)21(19)30-3)17-8-18-22(25-13-17)26-23(27)24(18,11-14-4-5-14)12-15-6-7-15/h8-10,13-15H,4-7,11-12H2,1-3H3,(H,25,26,27)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354862
PNG
(Preparation of 3,3-dibenzyl-5-(3,4,5-trimethoxy-ph...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2NC(=O)C(Cc3ccccc3)(Cc3ccccc3)c2c1
Show InChI InChI=1S/C30H28N2O4/c1-34-25-15-22(16-26(35-2)27(25)36-3)23-14-24-28(31-19-23)32-29(33)30(24,17-20-10-6-4-7-11-20)18-21-12-8-5-9-13-21/h4-16,19H,17-18H2,1-3H3,(H,31,32,33)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354745
PNG
(Preparation of 5-(3-(3-chloro-4-fluorophenyl)-1H-p...)
Show SMILES CN(C)c1ccc(cn1)-c1cnc2[nH]cc(-c3ccc(F)c(Cl)c3)c2c1
Show InChI InChI=1S/C20H16ClFN4/c1-26(2)19-6-4-13(9-23-19)14-7-15-16(11-25-20(15)24-10-14)12-3-5-18(22)17(21)8-12/h3-11H,1-2H3,(H,24,25)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354832
PNG
(1-(6-morpholinopyridin-3- yl)-6-(3,4,5- trimethoxy...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2[nH]c(=O)n(-c3ccc(nc3)N3CCOCC3)c2n1
Show InChI InChI=1S/C23H24N6O5/c1-31-17-10-14(11-18(32-2)20(17)33-3)16-13-25-21-22(26-16)29(23(30)27-21)15-4-5-19(24-12-15)28-6-8-34-9-7-28/h4-5,10-13H,6-9H2,1-3H3,(H,25,27,30)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354798
PNG
(1-cyclopentyl-6-(3,4- dimethoxyphenyl)-1H- imidazo...)
Show SMILES COc1ccc(cc1OC)-c1cnc2[nH]c(=O)n(C3CCCC3)c2n1
Show InChI InChI=1S/C18H20N4O3/c1-24-14-8-7-11(9-15(14)25-2)13-10-19-16-17(20-13)22(18(23)21-16)12-5-3-4-6-12/h7-10,12H,3-6H2,1-2H3,(H,19,21,23)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354812
PNG
(1-(1H-indazol-5-yl)-6-(4- morpholinophenyl)-1H- im...)
Show SMILES O=c1[nH]c2ncc(nc2n1-c1ccc2[nH]ncc2c1)-c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C22H19N7O2/c30-22-26-20-21(29(22)17-5-6-18-15(11-17)12-24-27-18)25-19(13-23-20)14-1-3-16(4-2-14)28-7-9-31-10-8-28/h1-6,11-13H,7-10H2,(H,24,27)(H,23,26,30)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354856
PNG
(US9814704, Example 133)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2NC(=O)C(=Cc3ccc(cc3)C#N)c2c1
Show InChI InChI=1S/C24H19N3O4/c1-29-20-10-16(11-21(30-2)22(20)31-3)17-9-18-19(24(28)27-23(18)26-13-17)8-14-4-6-15(12-25)7-5-14/h4-11,13H,1-3H3,(H,26,27,28)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354858
PNG
(US9814704, Example 135)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2NC(=O)C(Cc3cccnc3)c2c1
Show InChI InChI=1S/C22H21N3O4/c1-27-18-9-14(10-19(28-2)20(18)29-3)15-8-16-17(7-13-5-4-6-23-11-13)22(26)25-21(16)24-12-15/h4-6,8-12,17H,7H2,1-3H3,(H,24,25,26)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354859
PNG
(Preparation of 3-pyridin-4-ylmethyl-5-(3,4,5-trime...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2NC(=O)C(=Cc3ccncc3)c2c1
Show InChI InChI=1S/C22H19N3O4/c1-27-18-10-14(11-19(28-2)20(18)29-3)15-9-16-17(8-13-4-6-23-7-5-13)22(26)25-21(16)24-12-15/h4-12H,1-3H3,(H,24,25,26)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354887
PNG
(US9814704, Example 164)
Show SMILES CNC(=O)c1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C24H23N3O4/c1-25-24(28)15-7-5-14(6-8-15)19-13-27-23-18(19)9-17(12-26-23)16-10-20(29-2)22(31-4)21(11-16)30-3/h5-13H,1-4H3,(H,25,28)(H,26,27)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354788
PNG
(6-(3,5-dimethoxyphenyl)-1- (1H-indol-5-yl)-1H- imi...)
Show SMILES COc1cc(OC)cc(c1)-c1cnc2[nH]c(=O)n(-c3ccc4[nH]ccc4c3)c2n1
Show InChI InChI=1S/C21H17N5O3/c1-28-15-8-13(9-16(10-15)29-2)18-11-23-19-20(24-18)26(21(27)25-19)14-3-4-17-12(7-14)5-6-22-17/h3-11,22H,1-2H3,(H,23,25,27)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354794
PNG
(1-(4-methoxyphenyl)-6- (pyridin-4-yl)-1H- imidazo[...)
Show SMILES COc1ccc(cc1)-n1c2nc(cnc2[nH]c1=O)-c1ccncc1
Show InChI InChI=1S/C17H13N5O2/c1-24-13-4-2-12(3-5-13)22-16-15(21-17(22)23)19-10-14(20-16)11-6-8-18-9-7-11/h2-10H,1H3,(H,19,21,23)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354803
PNG
(1-(cyclopropylmethyl)-6- (3,5-dichlorophenyl)-1H- ...)
Show SMILES Clc1cc(Cl)cc(c1)-c1cnc2[nH]c(=O)n(CC3CC3)c2n1
Show InChI InChI=1S/C15H12Cl2N4O/c16-10-3-9(4-11(17)5-10)12-6-18-13-14(19-12)21(15(22)20-13)7-8-1-2-8/h3-6,8H,1-2,7H2,(H,18,20,22)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354804
PNG
(1-(cyclopropylmethyl)-6-(4- hydroxyphenyl)-1H- imi...)
Show SMILES Oc1ccc(cc1)-c1cnc2[nH]c(=O)n(CC3CC3)c2n1
Show InChI InChI=1S/C15H14N4O2/c20-11-5-3-10(4-6-11)12-7-16-13-14(17-12)19(15(21)18-13)8-9-1-2-9/h3-7,9,20H,1-2,8H2,(H,16,18,21)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354810
PNG
(6-(3,4-dimethoxyphenyl)-1- (1H-indazol-5-yl)-1H- i...)
Show SMILES COc1ccc(cc1OC)-c1cnc2[nH]c(=O)n(-c3ccc4[nH]ncc4c3)c2n1
Show InChI InChI=1S/C20H16N6O3/c1-28-16-6-3-11(8-17(16)29-2)15-10-21-18-19(23-15)26(20(27)24-18)13-4-5-14-12(7-13)9-22-25-14/h3-10H,1-2H3,(H,22,25)(H,21,24,27)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354840
PNG
(6-(6-aminopyridin-3-yl)-1- cyclopentyl-1H- imidazo...)
Show SMILES Nc1ccc(cn1)-c1cnc2[nH]c(=O)n(C3CCCC3)c2n1
Show InChI InChI=1S/C15H16N6O/c16-12-6-5-9(7-17-12)11-8-18-13-14(19-11)21(15(22)20-13)10-3-1-2-4-10/h5-8,10H,1-4H2,(H2,16,17)(H,18,20,22)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354849
PNG
(US9814704, Example 126)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2ncn(-c3ccc4[nH]ccc4c3)c2n1
Show InChI InChI=1S/C22H19N5O3/c1-28-18-9-14(10-19(29-2)20(18)30-3)17-11-24-21-22(26-17)27(12-25-21)15-4-5-16-13(8-15)6-7-23-16/h4-12,23H,1-3H3
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354850
PNG
(Preparation of 1-(cyclopropylmethyl)-6-(3,4,5-trim...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2[nH]c(=S)n(CC3CC3)c2n1
Show InChI InChI=1S/C18H20N4O3S/c1-23-13-6-11(7-14(24-2)15(13)25-3)12-8-19-16-17(20-12)22(18(26)21-16)9-10-4-5-10/h6-8,10H,4-5,9H2,1-3H3,(H,19,21,26)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354853
PNG
(Preparation of 3-benzylidene-5-(3,4,5-trimethoxy-p...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2NC(=O)C(=Cc3ccccc3)c2c1
Show InChI InChI=1S/C23H20N2O4/c1-27-19-11-15(12-20(28-2)21(19)29-3)16-10-17-18(9-14-7-5-4-6-8-14)23(26)25-22(17)24-13-16/h4-13H,1-3H3,(H,24,25,26)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354765
PNG
(Preparation of 6-(4-hydroxyphenyl)-1-(1-methyl-1H-...)
Show SMILES Cn1ccc2cc(ccc12)-n1c2nc(cnc2[nH]c1=O)-c1ccc(O)cc1
Show InChI InChI=1S/C20H15N5O2/c1-24-9-8-13-10-14(4-7-17(13)24)25-19-18(23-20(25)27)21-11-16(22-19)12-2-5-15(26)6-3-12/h2-11,26H,1H3,(H,21,23,27)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354767
PNG
(Preparation of 1-(1H-indol-5-yl)-6-(pyridin-4-yl)-...)
Show SMILES O=c1[nH]c2ncc(nc2n1-c1ccc2[nH]ccc2c1)-c1ccncc1
Show InChI InChI=1S/C18H12N6O/c25-18-23-16-17(22-15(10-21-16)11-3-6-19-7-4-11)24(18)13-1-2-14-12(9-13)5-8-20-14/h1-10,20H,(H,21,23,25)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354796
PNG
(6-(3,5-dichlorophenyl)-1-(2- methyl-1H-indol-5-yl)...)
Show SMILES Cc1cc2cc(ccc2[nH]1)-n1c2nc(cnc2[nH]c1=O)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C20H13Cl2N5O/c1-10-4-11-7-15(2-3-16(11)24-10)27-19-18(26-20(27)28)23-9-17(25-19)12-5-13(21)8-14(22)6-12/h2-9,24H,1H3,(H,23,26,28)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354809
PNG
(1-(cyclopropylmethyl)-6-(4- morpholinophenyl)-1H- ...)
Show SMILES O=c1[nH]c2ncc(nc2n1CC1CC1)-c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C19H21N5O2/c25-19-22-17-18(24(19)12-13-1-2-13)21-16(11-20-17)14-3-5-15(6-4-14)23-7-9-26-10-8-23/h3-6,11,13H,1-2,7-10,12H2,(H,20,22,25)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354817
PNG
(1-cyclopentyl-6-(2,4,6- trimethoxyphenyl)-1H- imid...)
Show SMILES COc1cc(OC)c(c(OC)c1)-c1cnc2[nH]c(=O)n(C3CCCC3)c2n1
Show InChI InChI=1S/C19H22N4O4/c1-25-12-8-14(26-2)16(15(9-12)27-3)13-10-20-17-18(21-13)23(19(24)22-17)11-6-4-5-7-11/h8-11H,4-7H2,1-3H3,(H,20,22,24)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354822
PNG
(1-(benzo[d]thiazol-5-yl)-6- (3,5-dimethylphenyl)-1...)
Show SMILES Cc1cc(C)cc(c1)-c1cnc2[nH]c(=O)n(-c3ccc4scnc4c3)c2n1
Show InChI InChI=1S/C20H15N5OS/c1-11-5-12(2)7-13(6-11)16-9-21-18-19(23-16)25(20(26)24-18)14-3-4-17-15(8-14)22-10-27-17/h3-10H,1-2H3,(H,21,24,26)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354845
PNG
(US9814704, Example 122)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2NC(=O)C(CC3CC3)c2c1
Show InChI InChI=1S/C20H22N2O4/c1-24-16-8-12(9-17(25-2)18(16)26-3)13-7-14-15(6-11-4-5-11)20(23)22-19(14)21-10-13/h7-11,15H,4-6H2,1-3H3,(H,21,22,23)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354855
PNG
(Preparation of 3-[2-oxo-5-(3,4,5-trimethoxy-phenyl...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2NC(=O)C(=Cc3cccc(c3)C(N)=O)c2c1
Show InChI InChI=1S/C24H21N3O5/c1-30-19-10-15(11-20(31-2)21(19)32-3)16-9-17-18(24(29)27-23(17)26-12-16)8-13-5-4-6-14(7-13)22(25)28/h4-12H,1-3H3,(H2,25,28)(H,26,27,29)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354857
PNG
(Preparation of 3-[2-oxo-5-(3,4,5-trimethoxy-phenyl...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2NC(=O)C(=Cc3cccc(c3)C#N)c2c1
Show InChI InChI=1S/C24H19N3O4/c1-29-20-10-16(11-21(30-2)22(20)31-3)17-9-18-19(24(28)27-23(18)26-13-17)8-14-5-4-6-15(7-14)12-25/h4-11,13H,1-3H3,(H,26,27,28)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354886
PNG
(Preparation of 5-(1H-indol-5-yl)-3-[4-(4-methyl-pi...)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2c[nH]c3ncc(cc23)-c2ccc3[nH]ccc3c2)CC1
Show InChI InChI=1S/C27H25N5/c1-31-10-12-32(13-11-31)18-19-2-4-20(5-3-19)25-17-30-27-24(25)15-23(16-29-27)21-6-7-26-22(14-21)8-9-28-26/h2-9,14-17H,10-13,18H2,1H3/b23-21-
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354743
PNG
(Preparation of 5,5′-(1H-pyrrolo[2,3-b]pyridi...)
Show SMILES Nc1ncc(cn1)-c1c[nH]c2ncc(cc12)-c1cnc(N)nc1
Show InChI InChI=1S/C15H12N8/c16-14-20-3-9(4-21-14)8-1-11-12(7-19-13(11)18-2-8)10-5-22-15(17)23-6-10/h1-7H,(H,18,19)(H2,16,20,21)(H2,17,22,23)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354784
PNG
(6-(3,5-difluorophenyl)-1- (1H-indol-5-yl)-1H- imid...)
Show SMILES Fc1cc(F)cc(c1)-c1cnc2[nH]c(=O)n(-c3ccc4[nH]ccc4c3)c2n1
Show InChI InChI=1S/C19H11F2N5O/c20-12-5-11(6-13(21)8-12)16-9-23-17-18(24-16)26(19(27)25-17)14-1-2-15-10(7-14)3-4-22-15/h1-9,22H,(H,23,25,27)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354787
PNG
(6-(4-hydroxy-3,5- dimethylphenyl)-1-(1H- indol-5-y...)
Show SMILES COc1c(C)cc(cc1C)-c1cnc2[nH]c(=O)n(-c3ccc4[nH]ccc4c3)c2n1
Show InChI InChI=1S/C22H19N5O2/c1-12-8-15(9-13(2)19(12)29-3)18-11-24-20-21(25-18)27(22(28)26-20)16-4-5-17-14(10-16)6-7-23-17/h4-11,23H,1-3H3,(H,24,26,28)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354800
PNG
(1-cyclopentyl-6-(pyridin-4- yl)-1H-imidazo[4,5- b]...)
Show SMILES O=c1[nH]c2ncc(nc2n1C1CCCC1)-c1ccncc1
Show InChI InChI=1S/C15H15N5O/c21-15-19-13-14(20(15)11-3-1-2-4-11)18-12(9-17-13)10-5-7-16-8-6-10/h5-9,11H,1-4H2,(H,17,19,21)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354815
PNG
(6-(4-hydroxyphenyl)-1-(1H- indazol-6-yl)-1H- imida...)
Show SMILES Oc1ccc(cc1)-c1cnc2[nH]c(=O)n(-c3ccc4cn[nH]c4c3)c2n1
Show InChI InChI=1S/C18H12N6O2/c25-13-5-2-10(3-6-13)15-9-19-16-17(21-15)24(18(26)22-16)12-4-1-11-8-20-23-14(11)7-12/h1-9,25H,(H,20,23)(H,19,22,26)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354821
PNG
(1-(benzo[d]thiazol-5-yl)-6- (pyridin-4-yl)-1H- imi...)
Show SMILES O=c1[nH]c2ncc(nc2n1-c1ccc2scnc2c1)-c1ccncc1
Show InChI InChI=1S/C17H10N6OS/c24-17-22-15-16(21-13(8-19-15)10-3-5-18-6-4-10)23(17)11-1-2-14-12(7-11)20-9-25-14/h1-9H,(H,19,22,24)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354823
PNG
(1-(benzo[d]thiazol-5-yl)-6- (4-morpholinophenyl)-1...)
Show SMILES O=c1[nH]c2ncc(nc2n1-c1ccc2scnc2c1)-c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C22H18N6O2S/c29-22-26-20-21(28(22)16-5-6-19-17(11-16)24-13-31-19)25-18(12-23-20)14-1-3-15(4-2-14)27-7-9-30-10-8-27/h1-6,11-13H,7-10H2,(H,23,26,29)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354842
PNG
(Preparation of 5-chloro-1-(cyclopropylmethyl)-6-(3...)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc2n(CC3CC3)c(=O)[nH]c2nc1Cl
Show InChI InChI=1S/C18H19ClN4O4/c1-25-11-6-10(7-12(26-2)14(11)27-3)13-15(19)21-16-17(20-13)23(18(24)22-16)8-9-4-5-9/h6-7,9H,4-5,8H2,1-3H3,(H,21,22,24)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354852
PNG
(Preparation of (E)- and (Z)-3-pyridin-4-ylmethylen...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2NC(=O)\C(=C\c3ccncc3)c2c1
Show InChI InChI=1S/C22H19N3O4/c1-27-18-10-14(11-19(28-2)20(18)29-3)15-9-16-17(8-13-4-6-23-7-5-13)22(26)25-21(16)24-12-15/h4-12H,1-3H3,(H,24,25,26)/b17-8+
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354860
PNG
(US9814704, Example 137)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2NC(=O)C(Cc3ccccc3)c2c1
Show InChI InChI=1S/C23H22N2O4/c1-27-19-11-15(12-20(28-2)21(19)29-3)16-10-17-18(9-14-7-5-4-6-8-14)23(26)25-22(17)24-13-16/h4-8,10-13,18H,9H2,1-3H3,(H,24,25,26)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354766
PNG
(Preparation of 6-(3,5-dimethylphenyl)-1-(1-methyl-...)
Show SMILES Cc1cc(C)cc(c1)-c1cnc2[nH]c(=O)n(-c3ccc4n(C)ccc4c3)c2n1
Show InChI InChI=1S/C22H19N5O/c1-13-8-14(2)10-16(9-13)18-12-23-20-21(24-18)27(22(28)25-20)17-4-5-19-15(11-17)6-7-26(19)3/h4-12H,1-3H3,(H,23,25,28)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354808
PNG
(1-(2-methyl-1H-indol-5-yl)- 6-(pyridin-4-yl)-1H- i...)
Show SMILES Cc1cc2cc(ccc2[nH]1)-n1c2nc(cnc2[nH]c1=O)-c1ccncc1
Show InChI InChI=1S/C19H14N6O/c1-11-8-13-9-14(2-3-15(13)22-11)25-18-17(24-19(25)26)21-10-16(23-18)12-4-6-20-7-5-12/h2-10,22H,1H3,(H,21,24,26)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354811
PNG
(1-(1H-indazol-5-yl)-6- (pyridin-4-yl)-1H- imidazo[...)
Show SMILES O=c1[nH]c2ncc(nc2n1-c1ccc2[nH]ncc2c1)-c1ccncc1
Show InChI InChI=1S/C17H11N7O/c25-17-22-15-16(21-14(9-19-15)10-3-5-18-6-4-10)24(17)12-1-2-13-11(7-12)8-20-23-13/h1-9H,(H,20,23)(H,19,22,25)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354818
PNG
(6-(3,5-dimethylphenyl)-1- (1H-indazol-6-yl)-1H- im...)
Show SMILES Cc1cc(C)cc(c1)-c1cnc2[nH]c(=O)n(-c3ccc4cn[nH]c4c3)c2n1
Show InChI InChI=1S/C20H16N6O/c1-11-5-12(2)7-14(6-11)17-10-21-18-19(23-17)26(20(27)24-18)15-4-3-13-9-22-25-16(13)8-15/h3-10H,1-2H3,(H,22,25)(H,21,24,27)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354848
PNG
(Preparation of 1-(cyclopropylmethyl)-6-(3,4,5-trim...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2[nH]c(=O)n(CC3CC3)c2c1
Show InChI InChI=1S/C19H21N3O4/c1-24-15-7-12(8-16(25-2)17(15)26-3)13-6-14-18(20-9-13)21-19(23)22(14)10-11-4-5-11/h6-9,11H,4-5,10H2,1-3H3,(H,20,21,23)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354758
PNG
(Preparation of 2-(4-(3-(1H-indol-5-yl)-1H-pyrrolo[...)
Show SMILES COc1cc(ccc1OCCN(C)C)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1
Show InChI InChI=1S/C26H24N4O2/c1-30(2)10-11-32-24-7-5-17(14-25(24)31-3)20-13-21-22(16-29-26(21)28-15-20)18-4-6-23-19(12-18)8-9-27-23/h4-9,12-16H,10-11H2,1-3H3/b22-18+
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354771
PNG
(6-(3,5-dichlorophenyl)-1- (1H-indol-5-yl)-1H- imid...)
Show SMILES Clc1cc(Cl)cc(c1)-c1cnc2[nH]c(=O)n(-c3ccc4[nH]ccc4c3)c2n1
Show InChI InChI=1S/C19H11Cl2N5O/c20-12-5-11(6-13(21)8-12)16-9-23-17-18(24-16)26(19(27)25-17)14-1-2-15-10(7-14)3-4-22-15/h1-9,22H,(H,23,25,27)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354793
PNG
(6-(4-hydroxyphenyl)-1-(4- methoxyphenyl)-1H- imida...)
Show SMILES COc1ccc(cc1)-n1c2nc(cnc2[nH]c1=O)-c1ccc(O)cc1
Show InChI InChI=1S/C18H14N4O3/c1-25-14-8-4-12(5-9-14)22-17-16(21-18(22)24)19-10-15(20-17)11-2-6-13(23)7-3-11/h2-10,23H,1H3,(H,19,21,24)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354824
PNG
(1-(2,3-dihydro-1H-inden-1- yl)-6-(3,4,5- trimethox...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2[nH]c(=O)n(C3CCc4ccccc34)c2n1
Show InChI InChI=1S/C23H22N4O4/c1-29-18-10-14(11-19(30-2)20(18)31-3)16-12-24-21-22(25-16)27(23(28)26-21)17-9-8-13-6-4-5-7-15(13)17/h4-7,10-12,17H,8-9H2,1-3H3,(H,24,26,28)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354769
PNG
(Preparation of 6-(3,5-dimethylphenyl)-1-(1H-indol-...)
Show SMILES Cc1cc(C)cc(c1)-c1cnc2[nH]c(=O)n(-c3ccc4[nH]ccc4c3)c2n1
Show InChI InChI=1S/C21H17N5O/c1-12-7-13(2)9-15(8-12)18-11-23-19-20(24-18)26(21(27)25-19)16-3-4-17-14(10-16)5-6-22-17/h3-11,22H,1-2H3,(H,23,25,27)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354779
PNG
(1-(1H-indol-5-yl)-6-(1H- indol-6-yl)-1H-imidazo[4,...)
Show SMILES O=c1[nH]c2ncc(nc2n1-c1ccc2[nH]ccc2c1)-c1ccc2cc[nH]c2c1
Show InChI InChI=1S/C21H14N6O/c28-21-26-19-20(27(21)15-3-4-16-14(9-15)6-8-22-16)25-18(11-24-19)13-2-1-12-5-7-23-17(12)10-13/h1-11,22-23H,(H,24,26,28)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354789
PNG
(1-(1H-indol-5-yl)-6-(2-(4- methylpiperazin-1- yl)p...)
Show SMILES CN1CCN(CC1)c1cc(ccn1)-c1cnc2[nH]c(=O)n(-c3ccc4[nH]ccc4c3)c2n1
Show InChI InChI=1S/C23H22N8O/c1-29-8-10-30(11-9-29)20-13-16(5-7-25-20)19-14-26-21-22(27-19)31(23(32)28-21)17-2-3-18-15(12-17)4-6-24-18/h2-7,12-14,24H,8-11H2,1H3,(H,26,28,32)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354805
PNG
(1-(cyclopropylmethyl)-6- (pyridin-4-yl)-1H- imidaz...)
Show SMILES O=c1[nH]c2ncc(nc2n1CC1CC1)-c1ccncc1
Show InChI InChI=1S/C14H13N5O/c20-14-18-12-13(19(14)8-9-1-2-9)17-11(7-16-12)10-3-5-15-6-4-10/h3-7,9H,1-2,8H2,(H,16,18,20)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354861
PNG
(Preparation of 4-[2-oxo-5-(3,4,5-trimethoxy-phenyl...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2NC(=O)C(Cc3ccc(cc3)C(N)=O)c2c1
Show InChI InChI=1S/C24H23N3O5/c1-30-19-10-15(11-20(31-2)21(19)32-3)16-9-17-18(24(29)27-23(17)26-12-16)8-13-4-6-14(7-5-13)22(25)28/h4-7,9-12,18H,8H2,1-3H3,(H2,25,28)(H,26,27,29)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354863
PNG
(Preparation of 1-(4-{4-[3-(1H-indol-5-yl)-1H-pyrro...)
Show SMILES CC(=O)N1CCN(Cc2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1
Show InChI InChI=1S/C22H21N5O/c1-15(28)27-8-6-26(7-9-27)14-16-10-19-20(13-25-22(19)24-12-16)17-2-3-21-18(11-17)4-5-23-21/h2-5,10-13H,6-9,14H2,1H3/b20-17+
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354752
PNG
(Preparation of 5-(3-(3-chloro-4-fluorophenyl)-1H-p...)
Show SMILES Nc1ccc(cn1)-c1cnc2[nH]cc(-c3ccc(F)c(Cl)c3)c2c1
Show InChI InChI=1S/C18H12ClFN4/c19-15-6-10(1-3-16(15)20)14-9-24-18-13(14)5-12(8-23-18)11-2-4-17(21)22-7-11/h1-9H,(H2,21,22)(H,23,24)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354772
PNG
(6-(3-fluoro-4- methoxyphenyl)-1-(1H- indol-5-yl)-1...)
Show SMILES COc1ccc(cc1F)-c1cnc2[nH]c(=O)n(-c3ccc4[nH]ccc4c3)c2n1
Show InChI InChI=1S/C20H14FN5O2/c1-28-17-5-2-11(9-14(17)21)16-10-23-18-19(24-16)26(20(27)25-18)13-3-4-15-12(8-13)6-7-22-15/h2-10,22H,1H3,(H,23,25,27)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354792
PNG
(6-(3,4-dimethoxyphenyl)-1- (4-methoxyphenyl)-1H- i...)
Show SMILES COc1ccc(cc1)-n1c2nc(cnc2[nH]c1=O)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C20H18N4O4/c1-26-14-7-5-13(6-8-14)24-19-18(23-20(24)25)21-11-15(22-19)12-4-9-16(27-2)17(10-12)28-3/h4-11H,1-3H3,(H,21,23,25)
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The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)

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