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Patent code WO2022098806

Compile Data Set for Download or QSAR

Found 414 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM548828
PNG
(WO2022098806, Compound 2-89)
Show SMILES CCS(=O)(=O)Cc1ccc(Nc2ncc3c(N)c(F)c(cc3n2)-c2cnc3OCCNc3c2C)c(OC)c1
Show InChI InChI=1S/C26H27FN6O4S/c1-4-38(34,35)13-15-5-6-19(21(9-15)36-3)32-26-31-12-18-20(33-26)10-16(22(27)23(18)28)17-11-30-25-24(14(17)2)29-7-8-37-25/h5-6,9-12,29H,4,7-8,13,28H2,1-3H3,(H,31,32,33)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
UniChem
WIPO WO2022098806
n/an/a 0.0100n/an/an/an/an/an/a



MERCK SHARP & DOHME LLC

WIPO


Assay Description
To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...


WIPO WO2022098806 (2022)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM548847
PNG
(WO2022098806, Compound 2-108)
Show SMILES CN1Cc2cc(Nc3ncc4c(N)c(F)c(c(Cl)c4n3)-c3cnc4OCCNc4c3C)ccc2C2(CC2)C1
Show InChI InChI=1S/C28H27ClFN7O/c1-14-17(10-33-26-24(14)32-7-8-38-26)20-21(29)25-18(23(31)22(20)30)11-34-27(36-25)35-16-3-4-19-15(9-16)12-37(2)13-28(19)5-6-28/h3-4,9-11,32H,5-8,12-13,31H2,1-2H3,(H,34,35,36)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
UniChem
WIPO WO2022098806
n/an/a 0.0100n/an/an/an/an/an/a



MERCK SHARP & DOHME LLC

WIPO


Assay Description
To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...


WIPO WO2022098806 (2022)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM548859
PNG
(WO2022098806, Compound 2-120)
Show SMILES Cc1c2NCCOc2ncc1-c1cc2nc(Nc3ccc4CCCNCc4c3)ncc2c(N)c1F
Show InChI InChI=1S/C26H26FN7O/c1-14-19(12-31-25-24(14)30-7-8-35-25)18-10-21-20(23(28)22(18)27)13-32-26(34-21)33-17-5-4-15-3-2-6-29-11-16(15)9-17/h4-5,9-10,12-13,29-30H,2-3,6-8,11,28H2,1H3,(H,32,33,34)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
UniChem
WIPO WO2022098806
n/an/a 0.0100n/an/an/an/an/an/a



MERCK SHARP & DOHME LLC

WIPO


Assay Description
To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...


WIPO WO2022098806 (2022)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM548823
PNG
(WO2022098806, Compound 2-84)
Show SMILES Cc1c2NCCOc2ncc1-c1cc2nc(Nc3ccc(CS(C)(=O)=O)nc3)ncc2c(N)c1F
Show InChI InChI=1S/C23H22FN7O3S/c1-12-16(9-28-22-21(12)26-5-6-34-22)15-7-18-17(20(25)19(15)24)10-29-23(31-18)30-13-3-4-14(27-8-13)11-35(2,32)33/h3-4,7-10,26H,5-6,11,25H2,1-2H3,(H,29,30,31)
PDB

NCI pathway
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UniChem
WIPO WO2022098806
n/an/a 0.0200n/an/an/an/an/an/a



MERCK SHARP & DOHME LLC

WIPO


Assay Description
To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...


WIPO WO2022098806 (2022)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM548850
PNG
(WO2022098806, Compound 2-111)
Show SMILES CN1Cc2cc(Nc3ncc4c(N)c(F)c(c(Br)c4n3)-c3cnc4OCCNc4c3C)ccc2C2(CC2)C1
Show InChI InChI=1S/C28H27BrFN7O/c1-14-17(10-33-26-24(14)32-7-8-38-26)20-21(29)25-18(23(31)22(20)30)11-34-27(36-25)35-16-3-4-19-15(9-16)12-37(2)13-28(19)5-6-28/h3-4,9-11,32H,5-8,12-13,31H2,1-2H3,(H,34,35,36)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
UniChem
WIPO WO2022098806
n/an/a 0.0200n/an/an/an/an/an/a



MERCK SHARP & DOHME LLC

WIPO


Assay Description
To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...


WIPO WO2022098806 (2022)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM548829
PNG
(WO2022098806, Compound 2-179 | WO2022098806, Compo...)
Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc2c(N)c(F)c(c(Cl)c2n1)-c1cnc2OCCNc2c1C
Show InChI InChI=1S/C27H27ClFN7O2/c1-13-16(10-32-26-24(13)31-5-7-38-26)20-21(28)25-17(23(30)22(20)29)11-33-27(35-25)34-18-8-15-12-36(2)6-4-14(15)9-19(18)37-3/h8-11,31H,4-7,12,30H2,1-3H3,(H,33,34,35)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
UniChem
WIPO WO2022098806
n/an/a 0.0200n/an/an/an/an/an/a



MERCK SHARP & DOHME LLC

WIPO


Assay Description
To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...


WIPO WO2022098806 (2022)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM548860
PNG
(WO2022098806, Compound 2-121)
Show SMILES CN1C2CCC1c1cc(Nc3ncc4c(N)c(F)c(cc4n3)-c3cnc4OCCNc4c3C)ccc21
Show InChI InChI=1S/C27H26FN7O/c1-13-18(11-31-26-25(13)30-7-8-36-26)17-10-20-19(24(29)23(17)28)12-32-27(34-20)33-14-3-4-15-16(9-14)22-6-5-21(15)35(22)2/h3-4,9-12,21-22,30H,5-8,29H2,1-2H3,(H,32,33,34)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
UniChem
WIPO WO2022098806
n/an/a 0.0200n/an/an/an/an/an/a



MERCK SHARP & DOHME LLC

WIPO


Assay Description
To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...


WIPO WO2022098806 (2022)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM548834
PNG
(WO2022098806, Compound 2-180 | WO2022098806, Compo...)
Show SMILES CN1CCc2ccc(Nc3ncc4c(N)c(F)c(c(Cl)c4n3)-c3cnc4OCCNc4c3C)cc2C1
Show InChI InChI=1S/C26H25ClFN7O/c1-13-17(10-31-25-23(13)30-6-8-36-25)19-20(27)24-18(22(29)21(19)28)11-32-26(34-24)33-16-4-3-14-5-7-35(2)12-15(14)9-16/h3-4,9-11,30H,5-8,12,29H2,1-2H3,(H,32,33,34)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
UniChem
WIPO WO2022098806
n/an/a 0.0200n/an/an/an/an/an/a



MERCK SHARP & DOHME LLC

WIPO


Assay Description
To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...


WIPO WO2022098806 (2022)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM548817
PNG
(WO2022098806, Compound 2-78)
Show SMILES CN1Cc2cc(Nc3ncc4c(N)c(F)c(cc4n3)-c3cnc4OCCNc4c3C)ccc2C1=O
Show InChI InChI=1S/C25H22FN7O2/c1-12-17(9-29-23-22(12)28-5-6-35-23)16-8-19-18(21(27)20(16)26)10-30-25(32-19)31-14-3-4-15-13(7-14)11-33(2)24(15)34/h3-4,7-10,28H,5-6,11,27H2,1-2H3,(H,30,31,32)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
UniChem
WIPO WO2022098806
n/an/a 0.0200n/an/an/an/an/an/a



MERCK SHARP & DOHME LLC

WIPO


Assay Description
To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...


WIPO WO2022098806 (2022)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM548727
PNG
(WO2022098806, Compound 1-123)
Show SMILES Cc1c2NCCOc2ncc1-c1ccc2cnc(Nc3ccc(CS(C)(=O)=O)cc3)nc2c1
Show InChI InChI=1S/C24H23N5O3S/c1-15-20(13-26-23-22(15)25-9-10-32-23)17-5-6-18-12-27-24(29-21(18)11-17)28-19-7-3-16(4-8-19)14-33(2,30)31/h3-8,11-13,25H,9-10,14H2,1-2H3,(H,27,28,29)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
UniChem
WIPO WO2022098806
n/an/a 0.0200n/an/an/an/an/an/a



MERCK SHARP & DOHME LLC

WIPO


Assay Description
To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...


WIPO WO2022098806 (2022)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM548821
PNG
(WO2022098806, Compound 2-82)
Show SMILES CNC(=O)C1(CCC1)c1ccc(Nc2ncc3c(N)c(F)c(cc3n2)-c2cnc3OCCNc3c2C)cc1
Show InChI InChI=1S/C28H28FN7O2/c1-15-19(13-33-25-24(15)32-10-11-38-25)18-12-21-20(23(30)22(18)29)14-34-27(36-21)35-17-6-4-16(5-7-17)28(8-3-9-28)26(37)31-2/h4-7,12-14,32H,3,8-11,30H2,1-2H3,(H,31,37)(H,34,35,36)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
UniChem
WIPO WO2022098806
n/an/a 0.0300n/an/an/an/an/an/a



MERCK SHARP & DOHME LLC

WIPO


Assay Description
To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...


WIPO WO2022098806 (2022)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM548815
PNG
(WO2022098806, Compound 2-76)
Show SMILES CC(C)N1CCc2ccc(Nc3ncc4c(N)c(F)c(cc4n3)-c3cnc4OCCNc4c3C)cc2C1
Show InChI InChI=1S/C28H30FN7O/c1-15(2)36-8-6-17-4-5-19(10-18(17)14-36)34-28-33-13-22-23(35-28)11-20(24(29)25(22)30)21-12-32-27-26(16(21)3)31-7-9-37-27/h4-5,10-13,15,31H,6-9,14,30H2,1-3H3,(H,33,34,35)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
UniChem
WIPO WO2022098806
n/an/a 0.0300n/an/an/an/an/an/a



MERCK SHARP & DOHME LLC

WIPO


Assay Description
To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...


WIPO WO2022098806 (2022)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM548867
PNG
(WO2022098806, Compound 2-128)
Show SMILES CN1Cc2cc(Nc3ncc4c(N)c(F)c(cc4n3)-c3cnc4OCCNc4c3C)ccc2CC1(C)C
Show InChI InChI=1S/C28H30FN7O/c1-15-20(12-32-26-25(15)31-7-8-37-26)19-10-22-21(24(30)23(19)29)13-33-27(35-22)34-18-6-5-16-11-28(2,3)36(4)14-17(16)9-18/h5-6,9-10,12-13,31H,7-8,11,14,30H2,1-4H3,(H,33,34,35)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
UniChem
WIPO WO2022098806
n/an/a 0.0300n/an/an/an/an/an/a



MERCK SHARP & DOHME LLC

WIPO


Assay Description
To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...


WIPO WO2022098806 (2022)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM548846
PNG
(WO2022098806, Compound 2-107 | WO2022098806, Compo...)
Show SMILES CN1CCc2cc(F)c(Nc3ncc4c(N)c(F)c(c(Cl)c4n3)-c3cnc4OCCNc4c3C)cc2C1
Show InChI InChI=1S/C26H24ClF2N7O/c1-12-15(9-32-25-23(12)31-4-6-37-25)19-20(27)24-16(22(30)21(19)29)10-33-26(35-24)34-18-8-14-11-36(2)5-3-13(14)7-17(18)28/h7-10,31H,3-6,11,30H2,1-2H3,(H,33,34,35)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
UniChem
WIPO WO2022098806
n/an/a 0.0300n/an/an/an/an/an/a



MERCK SHARP & DOHME LLC

WIPO


Assay Description
To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...


WIPO WO2022098806 (2022)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM548914
PNG
(WO2022098806, Compound 2-175)
Show SMILES CC(C)N1CCc2ncc(Nc3ncc4c(N)c(F)c(cc4n3)-c3cnc4OCCNc4c3C)cc2C1
Show InChI InChI=1S/C27H29FN8O/c1-14(2)36-6-4-21-16(13-36)8-17(10-31-21)34-27-33-12-20-22(35-27)9-18(23(28)24(20)29)19-11-32-26-25(15(19)3)30-5-7-37-26/h8-12,14,30H,4-7,13,29H2,1-3H3,(H,33,34,35)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
UniChem
WIPO WO2022098806
n/an/a 0.0300n/an/an/an/an/an/a



MERCK SHARP & DOHME LLC

WIPO


Assay Description
To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...


WIPO WO2022098806 (2022)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM548818
PNG
(WO2022098806, Compound 2-79)
Show SMILES CN1CC2CC1c1cc(Nc3ncc4c(N)c(F)c(cc4n3)-c3cnc4OCCNc4c3C)ccc21
Show InChI InChI=1S/C27H26FN7O/c1-13-19(10-31-26-25(13)30-5-6-36-26)18-9-21-20(24(29)23(18)28)11-32-27(34-21)33-15-3-4-16-14-7-22(17(16)8-15)35(2)12-14/h3-4,8-11,14,22,30H,5-7,12,29H2,1-2H3,(H,32,33,34)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
UniChem
WIPO WO2022098806
n/an/a 0.0300n/an/an/an/an/an/a



MERCK SHARP & DOHME LLC

WIPO


Assay Description
To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...


WIPO WO2022098806 (2022)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM548863
PNG
(WO2022098806, Compound 2-124 | WO2022098806, Compo...)
Show SMILES CN1CCc2ccc(Nc3ncc4c(N)c(F)c(cc4n3)-c3cnc4OCCNc4c3Cl)cc2C1
Show InChI InChI=1S/C25H23ClFN7O/c1-34-6-4-13-2-3-15(8-14(13)12-34)32-25-31-11-18-19(33-25)9-16(21(27)22(18)28)17-10-30-24-23(20(17)26)29-5-7-35-24/h2-3,8-11,29H,4-7,12,28H2,1H3,(H,31,32,33)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
UniChem
WIPO WO2022098806
n/an/a 0.0300n/an/an/an/an/an/a



MERCK SHARP & DOHME LLC

WIPO


Assay Description
To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...


WIPO WO2022098806 (2022)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM548897
PNG
(WO2022098806, Compound 2-158)
Show SMILES CN1CCc2cc(Nc3ncc4c(N)c(F)c(cc4n3)-c3cnc4OCCNc4c3C)ccc2C1
Show InChI InChI=1S/C26H26FN7O/c1-14-19(11-30-25-24(14)29-6-8-35-25)18-10-21-20(23(28)22(18)27)12-31-26(33-21)32-17-4-3-16-13-34(2)7-5-15(16)9-17/h3-4,9-12,29H,5-8,13,28H2,1-2H3,(H,31,32,33)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
UniChem
WIPO WO2022098806
n/an/a 0.0300n/an/an/an/an/an/a



MERCK SHARP & DOHME LLC

WIPO


Assay Description
To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...


WIPO WO2022098806 (2022)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM548824
PNG
(WO2022098806, Compound 2-85)
Show SMILES C[C@H]1Cc2ccc(Nc3ncc4c(N)c(F)c(cc4n3)-c3cnc4OCCNc4c3C)cc2CN1C
Show InChI InChI=1S/C27H28FN7O/c1-14-8-16-4-5-18(9-17(16)13-35(14)3)33-27-32-12-21-22(34-27)10-19(23(28)24(21)29)20-11-31-26-25(15(20)2)30-6-7-36-26/h4-5,9-12,14,30H,6-8,13,29H2,1-3H3,(H,32,33,34)/t14-/m0/s1
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
UniChem
WIPO WO2022098806
n/an/a 0.0300n/an/an/an/an/an/a



MERCK SHARP & DOHME LLC

WIPO


Assay Description
To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...


WIPO WO2022098806 (2022)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM548856
PNG
(WO2022098806, Compound 2-117)
Show SMILES CN1CCCc2ccc(Nc3ncc4c(N)c(F)c(cc4n3)-c3cnc4OCCNc4c3C)cc2C1
Show InChI InChI=1S/C27H28FN7O/c1-15-20(12-31-26-25(15)30-7-9-36-26)19-11-22-21(24(29)23(19)28)13-32-27(34-22)33-18-6-5-16-4-3-8-35(2)14-17(16)10-18/h5-6,10-13,30H,3-4,7-9,14,29H2,1-2H3,(H,32,33,34)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
UniChem
WIPO WO2022098806
n/an/a 0.0400n/an/an/an/an/an/a



MERCK SHARP & DOHME LLC

WIPO


Assay Description
To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...


WIPO WO2022098806 (2022)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM548830
PNG
(WO2022098806, Compound 2-91 | WO2022098806, Compou...)
Show SMILES Cc1c2NCCOc2ncc1-c1c(F)c(N)c2cnc(Nc3ccc(CS(C)(=O)=O)cc3)nc2c1Cl
Show InChI InChI=1S/C24H22ClFN6O3S/c1-12-15(9-29-23-21(12)28-7-8-35-23)17-18(25)22-16(20(27)19(17)26)10-30-24(32-22)31-14-5-3-13(4-6-14)11-36(2,33)34/h3-6,9-10,28H,7-8,11,27H2,1-2H3,(H,30,31,32)
PDB

NCI pathway
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UniProtKB/SwissProt

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UniChem
WIPO WO2022098806
n/an/a 0.0400n/an/an/an/an/an/a



MERCK SHARP & DOHME LLC

WIPO


Assay Description
To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...


WIPO WO2022098806 (2022)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM548825
PNG
(WO2022098806, Compound 2-86)
Show SMILES C[C@@H]1Cc2ccc(Nc3ncc4c(N)c(F)c(cc4n3)-c3cnc4OCCNc4c3C)cc2CN1C
Show InChI InChI=1S/C27H28FN7O/c1-14-8-16-4-5-18(9-17(16)13-35(14)3)33-27-32-12-21-22(34-27)10-19(23(28)24(21)29)20-11-31-26-25(15(20)2)30-6-7-36-26/h4-5,9-12,14,30H,6-8,13,29H2,1-3H3,(H,32,33,34)/t14-/m1/s1
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

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UniChem
WIPO WO2022098806
n/an/a 0.0400n/an/an/an/an/an/a



MERCK SHARP & DOHME LLC

WIPO


Assay Description
To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...


WIPO WO2022098806 (2022)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM548763
PNG
(WO2022098806, Compound 2-114 | WO2022098806, Compo...)
Show SMILES Cc1c2NCCOc2ncc1-c1cc2nc(Nc3ccc(CS(C)(=O)=O)cc3)ncc2c(N)c1F
Show InChI InChI=1S/C24H23FN6O3S/c1-13-17(10-28-23-22(13)27-7-8-34-23)16-9-19-18(21(26)20(16)25)11-29-24(31-19)30-15-5-3-14(4-6-15)12-35(2,32)33/h3-6,9-11,27H,7-8,12,26H2,1-2H3,(H,29,30,31)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

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UniChem
WIPO WO2022098806
n/an/a 0.0400n/an/an/an/an/an/a



MERCK SHARP & DOHME LLC

WIPO


Assay Description
To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...


WIPO WO2022098806 (2022)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM548722
PNG
(WO2022098806, Compound 1-118)
Show SMILES CNC(=O)[C@@H]1CCc2cc(Nc3ncc4cc(F)c(cc4n3)-c3cnc4OCCNc4c3C)ccc12
Show InChI InChI=1S/C27H25FN6O2/c1-14-21(13-31-26-24(14)30-7-8-36-26)20-11-23-16(10-22(20)28)12-32-27(34-23)33-17-4-6-18-15(9-17)3-5-19(18)25(35)29-2/h4,6,9-13,19,30H,3,5,7-8H2,1-2H3,(H,29,35)(H,32,33,34)/t19-/m1/s1
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

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WIPO WO2022098806
n/an/a 0.0400n/an/an/an/an/an/a



MERCK SHARP & DOHME LLC

WIPO


Assay Description
To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...


WIPO WO2022098806 (2022)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM548738
PNG
(WO2022098806, Compound 1-134)
Show SMILES CCS(=O)(=O)Cc1ccc(Nc2ncc3ccc(cc3n2)-c2cnc3OCCNc3c2C)cc1
Show InChI InChI=1S/C25H25N5O3S/c1-3-34(31,32)15-17-4-8-20(9-5-17)29-25-28-13-19-7-6-18(12-22(19)30-25)21-14-27-24-23(16(21)2)26-10-11-33-24/h4-9,12-14,26H,3,10-11,15H2,1-2H3,(H,28,29,30)
PDB

NCI pathway
KEGG

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UniChem
WIPO WO2022098806
n/an/a 0.0400n/an/an/an/an/an/a



MERCK SHARP & DOHME LLC

WIPO


Assay Description
To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...


WIPO WO2022098806 (2022)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM548922
PNG
(WO2022098806, Compound 2-183)
Show SMILES CN1CCc2ncc(Nc3ncc4c(N)c(F)c(cc4n3)-c3cnc4OCCNc4c3C)cc2C1
Show InChI InChI=1S/C25H25FN8O/c1-13-17(10-30-24-23(13)28-4-6-35-24)16-8-20-18(22(27)21(16)26)11-31-25(33-20)32-15-7-14-12-34(2)5-3-19(14)29-9-15/h7-11,28H,3-6,12,27H2,1-2H3,(H,31,32,33)
PDB

NCI pathway
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UniProtKB/SwissProt

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UniChem
WIPO WO2022098806
n/an/a 0.0400n/an/an/an/an/an/a



MERCK SHARP & DOHME LLC

WIPO


Assay Description
To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...


WIPO WO2022098806 (2022)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM548909
PNG
(WO2022098806, Compound 2-170)
Show SMILES Cc1c2NCCOc2ncc1-c1cc2nc(Nc3ccc(cc3)S(C)=O)ncc2c(N)c1F
Show InChI InChI=1S/C23H21FN6O2S/c1-12-16(10-27-22-21(12)26-7-8-32-22)15-9-18-17(20(25)19(15)24)11-28-23(30-18)29-13-3-5-14(6-4-13)33(2)31/h3-6,9-11,26H,7-8,25H2,1-2H3,(H,28,29,30)
PDB

NCI pathway
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WIPO WO2022098806
n/an/a 0.0400n/an/an/an/an/an/a



MERCK SHARP & DOHME LLC

WIPO


Assay Description
To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...


WIPO WO2022098806 (2022)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM548835
PNG
(WO2022098806, Compound 2-102 | WO2022098806, Compo...)
Show SMILES CC(C)N1CCc2ccc(Nc3ncc4c(N)c(F)c(c(Cl)c4n3)-c3cnc4OCCNc4c3C)cc2C1
Show InChI InChI=1S/C28H29ClFN7O/c1-14(2)37-8-6-16-4-5-18(10-17(16)13-37)35-28-34-12-20-24(31)23(30)21(22(29)26(20)36-28)19-11-33-27-25(15(19)3)32-7-9-38-27/h4-5,10-12,14,32H,6-9,13,31H2,1-3H3,(H,34,35,36)
PDB

NCI pathway
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UniChem
WIPO WO2022098806
n/an/a 0.0400n/an/an/an/an/an/a



MERCK SHARP & DOHME LLC

WIPO


Assay Description
To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...


WIPO WO2022098806 (2022)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM548728
PNG
(WO2022098806, Compound 1-124)
Show SMILES C[C@@H](c1ccc(Nc2ncc3cc(F)c(cc3n2)-c2cnc3OCCNc3c2C)cc1)S(C)(=O)=O
Show InChI InChI=1S/C25H24FN5O3S/c1-14-20(13-28-24-23(14)27-8-9-34-24)19-11-22-17(10-21(19)26)12-29-25(31-22)30-18-6-4-16(5-7-18)15(2)35(3,32)33/h4-7,10-13,15,27H,8-9H2,1-3H3,(H,29,30,31)/t15-/m0/s1
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

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UniChem
WIPO WO2022098806
n/an/a 0.0400n/an/an/an/an/an/a



MERCK SHARP & DOHME LLC

WIPO


Assay Description
To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...


WIPO WO2022098806 (2022)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM548820
PNG
(WO2022098806, Compound 2-81)
Show SMILES CNC(=O)C1(CC1)c1ccc(Nc2ncc3c(N)c(F)c(cc3n2)-c2cnc3OCCNc3c2C)cc1
Show InChI InChI=1S/C27H26FN7O2/c1-14-18(12-32-24-23(14)31-9-10-37-24)17-11-20-19(22(29)21(17)28)13-33-26(35-20)34-16-5-3-15(4-6-16)27(7-8-27)25(36)30-2/h3-6,11-13,31H,7-10,29H2,1-2H3,(H,30,36)(H,33,34,35)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
UniChem
WIPO WO2022098806
n/an/a 0.0400n/an/an/an/an/an/a



MERCK SHARP & DOHME LLC

WIPO


Assay Description
To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...


WIPO WO2022098806 (2022)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM548829
PNG
(WO2022098806, Compound 2-179 | WO2022098806, Compo...)
Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc2c(N)c(F)c(c(Cl)c2n1)-c1cnc2OCCNc2c1C
Show InChI InChI=1S/C27H27ClFN7O2/c1-13-16(10-32-26-24(13)31-5-7-38-26)20-21(28)25-17(23(30)22(20)29)11-33-27(35-25)34-18-8-15-12-36(2)6-4-14(15)9-19(18)37-3/h8-11,31H,4-7,12,30H2,1-3H3,(H,33,34,35)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

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UniChem
WIPO WO2022098806
n/an/a 0.0400n/an/an/an/an/an/a



MERCK SHARP & DOHME LLC

WIPO


Assay Description
To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...


WIPO WO2022098806 (2022)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM548878
PNG
(WO2022098806, Compound 2-139)
Show SMILES CN1CCc2ccc(Nc3ncc4c(N)c(F)c(cc4n3)-c3cncc4[nH]ccc34)cc2C1
Show InChI InChI=1S/C25H22FN7/c1-33-7-5-14-2-3-16(8-15(14)13-33)31-25-30-11-20-21(32-25)9-18(23(26)24(20)27)19-10-28-12-22-17(19)4-6-29-22/h2-4,6,8-12,29H,5,7,13,27H2,1H3,(H,30,31,32)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

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UniChem
WIPO WO2022098806
n/an/a 0.0400n/an/an/an/an/an/a



MERCK SHARP & DOHME LLC

WIPO


Assay Description
To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...


WIPO WO2022098806 (2022)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM548858
PNG
(WO2022098806, Compound 2-119)
Show SMILES CN1CCc2ccc(Nc3ncc4c(N)c(F)c(cc4n3)-c3cnc4OCCNc4c3C)cc2CC1
Show InChI InChI=1S/C27H28FN7O/c1-15-20(13-31-26-25(15)30-7-10-36-26)19-12-22-21(24(29)23(19)28)14-32-27(34-22)33-18-4-3-16-5-8-35(2)9-6-17(16)11-18/h3-4,11-14,30H,5-10,29H2,1-2H3,(H,32,33,34)
PDB

NCI pathway
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UniChem
WIPO WO2022098806
n/an/a 0.0400n/an/an/an/an/an/a



MERCK SHARP & DOHME LLC

WIPO


Assay Description
To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...


WIPO WO2022098806 (2022)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM548822
PNG
(WO2022098806, Compound 2-83)
Show SMILES CNC(=O)C1(CCCC1)c1ccc(Nc2ncc3c(N)c(F)c(cc3n2)-c2cnc3OCCNc3c2C)cc1
Show InChI InChI=1S/C29H30FN7O2/c1-16-20(14-34-26-25(16)33-11-12-39-26)19-13-22-21(24(31)23(19)30)15-35-28(37-22)36-18-7-5-17(6-8-18)29(27(38)32-2)9-3-4-10-29/h5-8,13-15,33H,3-4,9-12,31H2,1-2H3,(H,32,38)(H,35,36,37)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

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UniChem
WIPO WO2022098806
n/an/a 0.0400n/an/an/an/an/an/a



MERCK SHARP & DOHME LLC

WIPO


Assay Description
To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...


WIPO WO2022098806 (2022)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM548880
PNG
(WO2022098806, Compound 2-141)
Show SMILES CC1CNc2c(C)c(cnc2O1)-c1cc2nc(Nc3ccc4CCN(C)Cc4c3)ncc2c(N)c1F
Show InChI InChI=1S/C27H28FN7O/c1-14-10-30-25-15(2)20(11-31-26(25)36-14)19-9-22-21(24(29)23(19)28)12-32-27(34-22)33-18-5-4-16-6-7-35(3)13-17(16)8-18/h4-5,8-9,11-12,14,30H,6-7,10,13,29H2,1-3H3,(H,32,33,34)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

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UniChem
WIPO WO2022098806
n/an/a 0.0500n/an/an/an/an/an/a



MERCK SHARP & DOHME LLC

WIPO


Assay Description
To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...


WIPO WO2022098806 (2022)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM548863
PNG
(WO2022098806, Compound 2-124 | WO2022098806, Compo...)
Show SMILES CN1CCc2ccc(Nc3ncc4c(N)c(F)c(cc4n3)-c3cnc4OCCNc4c3Cl)cc2C1
Show InChI InChI=1S/C25H23ClFN7O/c1-34-6-4-13-2-3-15(8-14(13)12-34)32-25-31-11-18-19(33-25)9-16(21(27)22(18)28)17-10-30-24-23(20(17)26)29-5-7-35-24/h2-3,8-11,29H,4-7,12,28H2,1H3,(H,31,32,33)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
UniChem
WIPO WO2022098806
n/an/a 0.0500n/an/an/an/an/an/a



MERCK SHARP & DOHME LLC

WIPO


Assay Description
To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...


WIPO WO2022098806 (2022)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM548719
PNG
(WO2022098806, Compound 1-115)
Show SMILES Cc1c2NCCOc2ncc1-c1cc2nc(Nc3ccc(CS(C)(=O)=O)cc3)ncc2cc1F
Show InChI InChI=1S/C24H22FN5O3S/c1-14-19(12-27-23-22(14)26-7-8-33-23)18-10-21-16(9-20(18)25)11-28-24(30-21)29-17-5-3-15(4-6-17)13-34(2,31)32/h3-6,9-12,26H,7-8,13H2,1-2H3,(H,28,29,30)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
UniChem
WIPO WO2022098806
n/an/a 0.0500n/an/an/an/an/an/a



MERCK SHARP & DOHME LLC

WIPO


Assay Description
To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...


WIPO WO2022098806 (2022)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM548752
PNG
(WO2022098806, Compound 2-13)
Show SMILES CNC(=O)Cc1ccc(Nc2ncc3c(N)c(F)c(cc3n2)-c2cnc3OCCNc3c2C)cc1
Show InChI InChI=1S/C25H24FN7O2/c1-13-17(11-30-24-23(13)29-7-8-35-24)16-10-19-18(22(27)21(16)26)12-31-25(33-19)32-15-5-3-14(4-6-15)9-20(34)28-2/h3-6,10-12,29H,7-9,27H2,1-2H3,(H,28,34)(H,31,32,33)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

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UniChem
WIPO WO2022098806
n/an/a 0.0500n/an/an/an/an/an/a



MERCK SHARP & DOHME LLC

WIPO


Assay Description
To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...


WIPO WO2022098806 (2022)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM548812
PNG
(WO2022098806, Compound 2-151 | WO2022098806, Compo...)
Show SMILES CN1Cc2cc(Nc3ncc4c(N)c(F)c(cc4n3)-c3cnc4OCCNc4c3C)ccc2C2(CC2)C1
Show InChI InChI=1S/C28H28FN7O/c1-15-19(11-32-26-25(15)31-7-8-37-26)18-10-22-20(24(30)23(18)29)12-33-27(35-22)34-17-3-4-21-16(9-17)13-36(2)14-28(21)5-6-28/h3-4,9-12,31H,5-8,13-14,30H2,1-2H3,(H,33,34,35)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
UniChem
WIPO WO2022098806
n/an/a 0.0500n/an/an/an/an/an/a



MERCK SHARP & DOHME LLC

WIPO


Assay Description
To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...


WIPO WO2022098806 (2022)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM548848
PNG
(WO2022098806, Compound 2-109)
Show SMILES CN1Cc2cc(Nc3ncc4c(N)c(F)c(-c5cnc6OCCNc6c5C)c(C#N)c4n3)ccc2C2(CC2)C1
Show InChI InChI=1S/C29H27FN8O/c1-15-19(11-34-27-25(15)33-7-8-39-27)22-18(10-31)26-20(24(32)23(22)30)12-35-28(37-26)36-17-3-4-21-16(9-17)13-38(2)14-29(21)5-6-29/h3-4,9,11-12,33H,5-8,13-14,32H2,1-2H3,(H,35,36,37)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
UniChem
WIPO WO2022098806
n/an/a 0.0500n/an/an/an/an/an/a



MERCK SHARP & DOHME LLC

WIPO


Assay Description
To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...


WIPO WO2022098806 (2022)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM548806
PNG
(WO2022098806, Compound 2-67)
Show SMILES Cc1c2NCCOc2ncc1-c1cc2nc(Nc3ccc(cc3)N3CCOC3=O)ncc2c(N)c1F
Show InChI InChI=1S/C25H22FN7O3/c1-13-17(11-29-23-22(13)28-6-8-35-23)16-10-19-18(21(27)20(16)26)12-30-24(32-19)31-14-2-4-15(5-3-14)33-7-9-36-25(33)34/h2-5,10-12,28H,6-9,27H2,1H3,(H,30,31,32)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
UniChem
WIPO WO2022098806
n/an/a 0.0500n/an/an/an/an/an/a



MERCK SHARP & DOHME LLC

WIPO


Assay Description
To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...


WIPO WO2022098806 (2022)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM548885
PNG
(WO2022098806, Compound 2-146)
Show SMILES CN1CC[C@H](C1=O)c1ccc(Nc2ncc3c(N)c(F)c(cc3n2)-c2cnc3OCCNc3c2C)cc1
Show InChI InChI=1S/C27H26FN7O2/c1-14-19(12-31-25-24(14)30-8-10-37-25)18-11-21-20(23(29)22(18)28)13-32-27(34-21)33-16-5-3-15(4-6-16)17-7-9-35(2)26(17)36/h3-6,11-13,17,30H,7-10,29H2,1-2H3,(H,32,33,34)/t17-/m0/s1
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
UniChem
WIPO WO2022098806
n/an/a 0.0500n/an/an/an/an/an/a



MERCK SHARP & DOHME LLC

WIPO


Assay Description
To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...


WIPO WO2022098806 (2022)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM548763
PNG
(WO2022098806, Compound 2-114 | WO2022098806, Compo...)
Show SMILES Cc1c2NCCOc2ncc1-c1cc2nc(Nc3ccc(CS(C)(=O)=O)cc3)ncc2c(N)c1F
Show InChI InChI=1S/C24H23FN6O3S/c1-13-17(10-28-23-22(13)27-7-8-34-23)16-9-19-18(21(26)20(16)25)11-29-24(31-19)30-15-5-3-14(4-6-15)12-35(2,32)33/h3-6,9-11,27H,7-8,12,26H2,1-2H3,(H,29,30,31)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
UniChem
WIPO WO2022098806
n/an/a 0.0500n/an/an/an/an/an/a



MERCK SHARP & DOHME LLC

WIPO


Assay Description
To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...


WIPO WO2022098806 (2022)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM548798
PNG
(WO2022098806, Compound 2-59)
Show SMILES CN1CCc2cc(F)c(Nc3ncc4c(N)c(F)c(cc4n3)-c3cnc4OCCNc4c3C)cc2C1
Show InChI InChI=1S/C26H25F2N7O/c1-13-17(10-31-25-24(13)30-4-6-36-25)16-9-20-18(23(29)22(16)28)11-32-26(33-20)34-21-8-15-12-35(2)5-3-14(15)7-19(21)27/h7-11,30H,3-6,12,29H2,1-2H3,(H,32,33,34)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
UniChem
WIPO WO2022098806
n/an/a 0.0500n/an/an/an/an/an/a



MERCK SHARP & DOHME LLC

WIPO


Assay Description
To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...


WIPO WO2022098806 (2022)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM548884
PNG
(WO2022098806, Compound 2-145)
Show SMILES CC(C)N1CCc2ccc(Nc3ncc4c(N)c(F)c(cc4n3)-c3cnc4OC(C)CNc4c3C)cc2C1
Show InChI InChI=1S/C29H32FN7O/c1-15(2)37-8-7-18-5-6-20(9-19(18)14-37)35-29-34-13-23-24(36-29)10-21(25(30)26(23)31)22-12-33-28-27(17(22)4)32-11-16(3)38-28/h5-6,9-10,12-13,15-16,32H,7-8,11,14,31H2,1-4H3,(H,34,35,36)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
UniChem
WIPO WO2022098806
n/an/a 0.0500n/an/an/an/an/an/a



MERCK SHARP & DOHME LLC

WIPO


Assay Description
To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...


WIPO WO2022098806 (2022)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM548910
PNG
(WO2022098806, Compound 2-171)
Show SMILES CC(C)N1CCc2cc(F)c(Nc3ncc4c(N)c(F)c(cc4n3)-c3cnc4OCCNc4c3C)cc2C1
Show InChI InChI=1S/C28H29F2N7O/c1-14(2)37-6-4-16-8-21(29)23(9-17(16)13-37)36-28-34-12-20-22(35-28)10-18(24(30)25(20)31)19-11-33-27-26(15(19)3)32-5-7-38-27/h8-12,14,32H,4-7,13,31H2,1-3H3,(H,34,35,36)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
UniChem
WIPO WO2022098806
n/an/a 0.0500n/an/an/an/an/an/a



MERCK SHARP & DOHME LLC

WIPO


Assay Description
To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...


WIPO WO2022098806 (2022)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM548762
PNG
(WO2022098806, Compound 2-23)
Show SMILES CNC(=O)c1ccc(Nc2ncc3c(N)c(F)c(cc3n2)-c2cnc3OCCNc3c2C)cc1
Show InChI InChI=1S/C24H22FN7O2/c1-12-16(10-29-23-21(12)28-7-8-34-23)15-9-18-17(20(26)19(15)25)11-30-24(32-18)31-14-5-3-13(4-6-14)22(33)27-2/h3-6,9-11,28H,7-8,26H2,1-2H3,(H,27,33)(H,30,31,32)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
UniChem
WIPO WO2022098806
n/an/a 0.0500n/an/an/an/an/an/a



MERCK SHARP & DOHME LLC

WIPO


Assay Description
To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...


WIPO WO2022098806 (2022)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM548809
PNG
(WO2022098806, Compound 2-70)
Show SMILES CN1CCc2ccc(Nc3ncc4c(N)c(F)c(cc4n3)-c3cnc4OCCNc4c3C)cc2C1
Show InChI InChI=1S/C26H26FN7O/c1-14-19(11-30-25-24(14)29-6-8-35-25)18-10-21-20(23(28)22(18)27)12-31-26(33-21)32-17-4-3-15-5-7-34(2)13-16(15)9-17/h3-4,9-12,29H,5-8,13,28H2,1-2H3,(H,31,32,33)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
UniChem
WIPO WO2022098806
n/an/a 0.0500n/an/an/an/an/an/a



MERCK SHARP & DOHME LLC

WIPO


Assay Description
To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...


WIPO WO2022098806 (2022)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM548892
PNG
(WO2022098806, Compound 2-153)
Show SMILES CN1Cc2cc(Nc3ncc4c(N)c(F)c(cc4n3)-c3cncc(N)c3C)ccc2C2(CC2)C1
Show InChI InChI=1S/C26H26FN7/c1-14-18(9-30-11-21(14)28)17-8-22-19(24(29)23(17)27)10-31-25(33-22)32-16-3-4-20-15(7-16)12-34(2)13-26(20)5-6-26/h3-4,7-11H,5-6,12-13,28-29H2,1-2H3,(H,31,32,33)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
UniChem
WIPO WO2022098806
n/an/a 0.0500n/an/an/an/an/an/a



MERCK SHARP & DOHME LLC

WIPO


Assay Description
To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...


WIPO WO2022098806 (2022)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM548789
PNG
(WO2022098806, Compound 2-50)
Show SMILES COc1cc(CS(C)(=O)=O)ccc1Nc1ncc2c(N)c(F)c(cc2n1)-c1cnc2OCCNc2c1C
Show InChI InChI=1S/C25H25FN6O4S/c1-13-16(10-29-24-23(13)28-6-7-36-24)15-9-19-17(22(27)21(15)26)11-30-25(32-19)31-18-5-4-14(8-20(18)35-2)12-37(3,33)34/h4-5,8-11,28H,6-7,12,27H2,1-3H3,(H,30,31,32)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
UniChem
WIPO WO2022098806
n/an/a 0.0600n/an/an/an/an/an/a



MERCK SHARP & DOHME LLC

WIPO


Assay Description
To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...


WIPO WO2022098806 (2022)

More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 414 total )  |  Next  |  Last  >>
* indicates data uncertainty>20%