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21 similar compounds to monomer 182425

Compile data set for download or QSAR
Wt: 596.4
BDBM182360
Wt: 506.9
BDBM182443
Wt: 564.4
BDBM182566
Wt: 568.4
BDBM182516
Wt: 525.3
BDBM182465
Wt: 446.4
BDBM182466
Wt: 471.4
BDBM182468
Wt: 474.5
BDBM182470
Wt: 480.9
BDBM182471
Wt: 506.9
BDBM182472
Wt: 500.5
BDBM182404
Wt: 525.4
BDBM182480
Wt: 446.5
BDBM182410
Wt: 502.5
BDBM182414
Wt: 516.5
BDBM182415
Displayed 1 to 15 (of 21 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 182360,182443,182566,182516,182465,182466,182468,182470,182471,182472,182404,182480,182410,182414,182415   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM182404
PNG
(US9145392, 105)
Show SMILES CCc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN1CCC1)-c1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C25H31F3N8/c1-2-19-22(29)31-16-32-24(19)35-10-5-17(6-11-35)23-33-20(15-36(23)13-12-34-8-3-9-34)18-4-7-30-21(14-18)25(26,27)28/h4,7,14-17H,2-3,5-6,8-13H2,1H3,(H2,29,31,32)
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n/an/a 2.70n/an/an/an/a7.525



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds are diluted and plated in 96 well plates. A reaction mixture including the following components is then added to the compo...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM182360
PNG
(US9145392, 61)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCCCC2)-c2ccc(F)c(c2)C(F)(F)F)c1Br
Show InChI InChI=1S/C26H30BrF4N7/c27-22-23(32)33-16-34-25(22)37-10-6-17(7-11-37)24-35-21(15-38(24)13-12-36-8-2-1-3-9-36)18-4-5-20(28)19(14-18)26(29,30)31/h4-5,14-17H,1-3,6-13H2,(H2,32,33,34)
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n/an/a 2.80n/an/an/an/a7.525



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds are diluted and plated in 96 well plates. A reaction mixture including the following components is then added to the compo...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM182414
PNG
(US9145392, 115)
Show SMILES COc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN1CCC1)-c1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C24H29F3N8O/c1-36-20-21(28)30-15-31-23(20)34-9-4-16(5-10-34)22-32-18(14-35(22)12-11-33-7-2-8-33)17-3-6-29-19(13-17)24(25,26)27/h3,6,13-16H,2,4-5,7-12H2,1H3,(H2,28,30,31)
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n/an/a 2.80n/an/an/an/a7.525



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds are diluted and plated in 96 well plates. A reaction mixture including the following components is then added to the compo...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM182415
PNG
(US9145392, 116)
Show SMILES CCOc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN1CCC1)-c1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C25H31F3N8O/c1-2-37-21-22(29)31-16-32-24(21)35-10-5-17(6-11-35)23-33-19(15-36(23)13-12-34-8-3-9-34)18-4-7-30-20(14-18)25(26,27)28/h4,7,14-17H,2-3,5-6,8-13H2,1H3,(H2,29,31,32)
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n/an/a 2.40n/an/an/an/a7.525



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds are diluted and plated in 96 well plates. A reaction mixture including the following components is then added to the compo...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM182443
PNG
(US9145392, 144)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCC2)-c2ccnc(c2)C(F)(F)F)c1Cl
Show InChI InChI=1S/C23H26ClF3N8/c24-19-20(28)30-14-31-22(19)34-8-3-15(4-9-34)21-32-17(13-35(21)11-10-33-6-1-7-33)16-2-5-29-18(12-16)23(25,26)27/h2,5,12-15H,1,3-4,6-11H2,(H2,28,30,31)
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n/an/a 1.10n/an/an/an/a7.525



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds are diluted and plated in 96 well plates. A reaction mixture including the following components is then added to the compo...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM182465
PNG
(US9145392, 166)
Show SMILES CNCCn1cc(nc1C1CCN(CC1)c1ncnc(N)c1Br)-c1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C21H24BrF3N8/c1-27-6-9-33-11-15(14-2-5-28-16(10-14)21(23,24)25)31-19(33)13-3-7-32(8-4-13)20-17(22)18(26)29-12-30-20/h2,5,10-13,27H,3-4,6-9H2,1H3,(H2,26,29,30)
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n/an/a 1.30n/an/an/an/a7.525



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds are diluted and plated in 96 well plates. A reaction mixture including the following components is then added to the compo...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM182466
PNG
(US9145392, 167)
Show SMILES CNCCn1cc(nc1C1CCN(CC1)c1cc(N)ncn1)-c1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C21H25F3N8/c1-26-6-9-32-12-16(15-2-5-27-17(10-15)21(22,23)24)30-20(32)14-3-7-31(8-4-14)19-11-18(25)28-13-29-19/h2,5,10-14,26H,3-4,6-9H2,1H3,(H2,25,28,29)
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n/an/a 130n/an/an/an/a7.525



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds are diluted and plated in 96 well plates. A reaction mixture including the following components is then added to the compo...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM182468
PNG
(US9145392, 169)
Show SMILES CNCCn1cc(nc1C1CCN(CC1)c1ncnc(N)c1C#N)-c1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C22H24F3N9/c1-28-6-9-34-12-17(15-2-5-29-18(10-15)22(23,24)25)32-20(34)14-3-7-33(8-4-14)21-16(11-26)19(27)30-13-31-21/h2,5,10,12-14,28H,3-4,6-9H2,1H3,(H2,27,30,31)
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n/an/a 1.30n/an/an/an/a7.525



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds are diluted and plated in 96 well plates. A reaction mixture including the following components is then added to the compo...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM182470
PNG
(US9145392, 171)
Show SMILES CCc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCNC)-c1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C23H29F3N8/c1-3-17-20(27)30-14-31-22(17)33-9-5-15(6-10-33)21-32-18(13-34(21)11-8-28-2)16-4-7-29-19(12-16)23(24,25)26/h4,7,12-15,28H,3,5-6,8-11H2,1-2H3,(H2,27,30,31)
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n/an/a 0.600n/an/an/an/a7.525



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds are diluted and plated in 96 well plates. A reaction mixture including the following components is then added to the compo...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM182471
PNG
(US9145392, 172)
Show SMILES CNCCn1cc(nc1C1CCN(CC1)c1ncnc(N)c1Cl)-c1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C21H24ClF3N8/c1-27-6-9-33-11-15(14-2-5-28-16(10-14)21(23,24)25)31-19(33)13-3-7-32(8-4-13)20-17(22)18(26)29-12-30-20/h2,5,10-13,27H,3-4,6-9H2,1H3,(H2,26,29,30)
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n/an/a 2n/an/an/an/a7.525



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds are diluted and plated in 96 well plates. A reaction mixture including the following components is then added to the compo...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM182472
PNG
(US9145392, 173)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCNC2CC2)-c2ccnc(c2)C(F)(F)F)c1Cl
Show InChI InChI=1S/C23H26ClF3N8/c24-19-20(28)31-13-32-22(19)34-8-4-14(5-9-34)21-33-17(12-35(21)10-7-29-16-1-2-16)15-3-6-30-18(11-15)23(25,26)27/h3,6,11-14,16,29H,1-2,4-5,7-10H2,(H2,28,31,32)
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n/an/a 2.80n/an/an/an/a7.525



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds are diluted and plated in 96 well plates. A reaction mixture including the following components is then added to the compo...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM182480
PNG
(US9145392, 181)
Show SMILES CC(C)c1cc(ccn1)-c1cn(CCN2CCC2)c(n1)C1CCN(CC1)c1ncnc(N)c1Br
Show InChI InChI=1S/C25H33BrN8/c1-17(2)20-14-19(4-7-28-20)21-15-34(13-12-32-8-3-9-32)24(31-21)18-5-10-33(11-6-18)25-22(26)23(27)29-16-30-25/h4,7,14-18H,3,5-6,8-13H2,1-2H3,(H2,27,29,30)
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n/an/a 0.110n/an/an/an/a7.525



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds are diluted and plated in 96 well plates. A reaction mixture including the following components is then added to the compo...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM182516
PNG
(US9145392, 217)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCC2)-c2ccc(F)c(c2)C(F)(F)F)c1Br
Show InChI InChI=1S/C24H26BrF4N7/c25-20-21(30)31-14-32-23(20)35-8-4-15(5-9-35)22-33-19(13-36(22)11-10-34-6-1-7-34)16-2-3-18(26)17(12-16)24(27,28)29/h2-3,12-15H,1,4-11H2,(H2,30,31,32)
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n/an/a 1.5n/an/an/an/a7.525



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds are diluted and plated in 96 well plates. A reaction mixture including the following components is then added to the compo...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM182566
PNG
(US9145392, 267)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCCC2)-c2cccc(c2)C(F)(F)F)c1Br
Show InChI InChI=1S/C25H29BrF3N7/c26-21-22(30)31-16-32-24(21)35-10-6-17(7-11-35)23-33-20(15-36(23)13-12-34-8-1-2-9-34)18-4-3-5-19(14-18)25(27,28)29/h3-5,14-17H,1-2,6-13H2,(H2,30,31,32)
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n/an/a 2.20n/an/an/an/a7.525



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds are diluted and plated in 96 well plates. A reaction mixture including the following components is then added to the compo...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM182360
PNG
(US9145392, 61)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCCCC2)-c2ccc(F)c(c2)C(F)(F)F)c1Br
Show InChI InChI=1S/C26H30BrF4N7/c27-22-23(32)33-16-34-25(22)37-10-6-17(7-11-37)24-35-21(15-38(24)13-12-36-8-2-1-3-9-36)18-4-5-20(28)19(14-18)26(29,30)31/h4-5,14-17H,1-3,6-13H2,(H2,32,33,34)
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n/an/a 9n/an/an/an/a7.5n/a



Merck Patent GmbH

US Patent


Assay Description
A TTP Mosquito liquid handling instrument is used to place 125n1 of the appropriate concentration of inhibitor in 100% DMSO (for a dose response curv...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM182404
PNG
(US9145392, 105)
Show SMILES CCc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN1CCC1)-c1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C25H31F3N8/c1-2-19-22(29)31-16-32-24(19)35-10-5-17(6-11-35)23-33-20(15-36(23)13-12-34-8-3-9-34)18-4-7-30-21(14-18)25(26,27)28/h4,7,14-17H,2-3,5-6,8-13H2,1H3,(H2,29,31,32)
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n/an/a 13n/an/an/an/a7.5n/a



Merck Patent GmbH

US Patent


Assay Description
A TTP Mosquito liquid handling instrument is used to place 125n1 of the appropriate concentration of inhibitor in 100% DMSO (for a dose response curv...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM182410
PNG
(US9145392, 111)
Show SMILES CCc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN1CCC1)-c1ccnc(C)c1
Show InChI InChI=1S/C25H34N8/c1-3-21-23(26)28-17-29-25(21)32-11-6-19(7-12-32)24-30-22(20-5-8-27-18(2)15-20)16-33(24)14-13-31-9-4-10-31/h5,8,15-17,19H,3-4,6-7,9-14H2,1-2H3,(H2,26,28,29)
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n/an/a 106n/an/an/an/a7.5n/a



Merck Patent GmbH

US Patent


Assay Description
A TTP Mosquito liquid handling instrument is used to place 125n1 of the appropriate concentration of inhibitor in 100% DMSO (for a dose response curv...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM182414
PNG
(US9145392, 115)
Show SMILES COc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN1CCC1)-c1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C24H29F3N8O/c1-36-20-21(28)30-15-31-23(20)34-9-4-16(5-10-34)22-32-18(14-35(22)12-11-33-7-2-8-33)17-3-6-29-19(13-17)24(25,26)27/h3,6,13-16H,2,4-5,7-12H2,1H3,(H2,28,30,31)
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n/an/a 21n/an/an/an/a7.5n/a



Merck Patent GmbH

US Patent


Assay Description
A TTP Mosquito liquid handling instrument is used to place 125n1 of the appropriate concentration of inhibitor in 100% DMSO (for a dose response curv...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM182415
PNG
(US9145392, 116)
Show SMILES CCOc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN1CCC1)-c1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C25H31F3N8O/c1-2-37-21-22(29)31-16-32-24(21)35-10-5-17(6-11-35)23-33-19(15-36(23)13-12-34-8-3-9-34)18-4-7-30-20(14-18)25(26,27)28/h4,7,14-17H,2-3,5-6,8-13H2,1H3,(H2,29,31,32)
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n/an/a 8.20n/an/an/an/a7.5n/a



Merck Patent GmbH

US Patent


Assay Description
A TTP Mosquito liquid handling instrument is used to place 125n1 of the appropriate concentration of inhibitor in 100% DMSO (for a dose response curv...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM182443
PNG
(US9145392, 144)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCC2)-c2ccnc(c2)C(F)(F)F)c1Cl
Show InChI InChI=1S/C23H26ClF3N8/c24-19-20(28)30-14-31-22(19)34-8-3-15(4-9-34)21-32-17(13-35(21)11-10-33-6-1-7-33)16-2-5-29-18(12-16)23(25,26)27/h2,5,12-15H,1,3-4,6-11H2,(H2,28,30,31)
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n/an/a 2.5n/an/an/an/a7.5n/a



Merck Patent GmbH

US Patent


Assay Description
A TTP Mosquito liquid handling instrument is used to place 125n1 of the appropriate concentration of inhibitor in 100% DMSO (for a dose response curv...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM182465
PNG
(US9145392, 166)
Show SMILES CNCCn1cc(nc1C1CCN(CC1)c1ncnc(N)c1Br)-c1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C21H24BrF3N8/c1-27-6-9-33-11-15(14-2-5-28-16(10-14)21(23,24)25)31-19(33)13-3-7-32(8-4-13)20-17(22)18(26)29-12-30-20/h2,5,10-13,27H,3-4,6-9H2,1H3,(H2,26,29,30)
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n/an/a 1.5n/an/an/an/a7.5n/a



Merck Patent GmbH

US Patent


Assay Description
A TTP Mosquito liquid handling instrument is used to place 125n1 of the appropriate concentration of inhibitor in 100% DMSO (for a dose response curv...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM182466
PNG
(US9145392, 167)
Show SMILES CNCCn1cc(nc1C1CCN(CC1)c1cc(N)ncn1)-c1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C21H25F3N8/c1-26-6-9-32-12-16(15-2-5-27-17(10-15)21(22,23)24)30-20(32)14-3-7-31(8-4-14)19-11-18(25)28-13-29-19/h2,5,10-14,26H,3-4,6-9H2,1H3,(H2,25,28,29)
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n/an/a>1.00E+3n/an/an/an/a7.5n/a



Merck Patent GmbH

US Patent


Assay Description
A TTP Mosquito liquid handling instrument is used to place 125n1 of the appropriate concentration of inhibitor in 100% DMSO (for a dose response curv...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM182468
PNG
(US9145392, 169)
Show SMILES CNCCn1cc(nc1C1CCN(CC1)c1ncnc(N)c1C#N)-c1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C22H24F3N9/c1-28-6-9-34-12-17(15-2-5-29-18(10-15)22(23,24)25)32-20(34)14-3-7-33(8-4-14)21-16(11-26)19(27)30-13-31-21/h2,5,10,12-14,28H,3-4,6-9H2,1H3,(H2,27,30,31)
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n/an/a 1.70n/an/an/an/a7.5n/a



Merck Patent GmbH

US Patent


Assay Description
A TTP Mosquito liquid handling instrument is used to place 125n1 of the appropriate concentration of inhibitor in 100% DMSO (for a dose response curv...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM182470
PNG
(US9145392, 171)
Show SMILES CCc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCNC)-c1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C23H29F3N8/c1-3-17-20(27)30-14-31-22(17)33-9-5-15(6-10-33)21-32-18(13-34(21)11-8-28-2)16-4-7-29-19(12-16)23(24,25)26/h4,7,12-15,28H,3,5-6,8-11H2,1-2H3,(H2,27,30,31)
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n/an/a 2.10n/an/an/an/a7.5n/a



Merck Patent GmbH

US Patent


Assay Description
A TTP Mosquito liquid handling instrument is used to place 125n1 of the appropriate concentration of inhibitor in 100% DMSO (for a dose response curv...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM182471
PNG
(US9145392, 172)
Show SMILES CNCCn1cc(nc1C1CCN(CC1)c1ncnc(N)c1Cl)-c1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C21H24ClF3N8/c1-27-6-9-33-11-15(14-2-5-28-16(10-14)21(23,24)25)31-19(33)13-3-7-32(8-4-13)20-17(22)18(26)29-12-30-20/h2,5,10-13,27H,3-4,6-9H2,1H3,(H2,26,29,30)
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n/an/a 1.40n/an/an/an/a7.5n/a



Merck Patent GmbH

US Patent


Assay Description
A TTP Mosquito liquid handling instrument is used to place 125n1 of the appropriate concentration of inhibitor in 100% DMSO (for a dose response curv...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM182472
PNG
(US9145392, 173)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCNC2CC2)-c2ccnc(c2)C(F)(F)F)c1Cl
Show InChI InChI=1S/C23H26ClF3N8/c24-19-20(28)31-13-32-22(19)34-8-4-14(5-9-34)21-33-17(12-35(21)10-7-29-16-1-2-16)15-3-6-30-18(11-15)23(25,26)27/h3,6,11-14,16,29H,1-2,4-5,7-10H2,(H2,28,31,32)
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n/an/a 3.60n/an/an/an/a7.5n/a



Merck Patent GmbH

US Patent


Assay Description
A TTP Mosquito liquid handling instrument is used to place 125n1 of the appropriate concentration of inhibitor in 100% DMSO (for a dose response curv...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM182480
PNG
(US9145392, 181)
Show SMILES CC(C)c1cc(ccn1)-c1cn(CCN2CCC2)c(n1)C1CCN(CC1)c1ncnc(N)c1Br
Show InChI InChI=1S/C25H33BrN8/c1-17(2)20-14-19(4-7-28-20)21-15-34(13-12-32-8-3-9-32)24(31-21)18-5-10-33(11-6-18)25-22(26)23(27)29-16-30-25/h4,7,14-18H,3,5-6,8-13H2,1-2H3,(H2,27,29,30)
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n/an/a 0.150n/an/an/an/a7.5n/a



Merck Patent GmbH

US Patent


Assay Description
A TTP Mosquito liquid handling instrument is used to place 125n1 of the appropriate concentration of inhibitor in 100% DMSO (for a dose response curv...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM182516
PNG
(US9145392, 217)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCC2)-c2ccc(F)c(c2)C(F)(F)F)c1Br
Show InChI InChI=1S/C24H26BrF4N7/c25-20-21(30)31-14-32-23(20)35-8-4-15(5-9-35)22-33-19(13-36(22)11-10-34-6-1-7-34)16-2-3-18(26)17(12-16)24(27,28)29/h2-3,12-15H,1,4-11H2,(H2,30,31,32)
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n/an/a 2.30n/an/an/an/a7.5n/a



Merck Patent GmbH

US Patent


Assay Description
A TTP Mosquito liquid handling instrument is used to place 125n1 of the appropriate concentration of inhibitor in 100% DMSO (for a dose response curv...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM182566
PNG
(US9145392, 267)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCCC2)-c2cccc(c2)C(F)(F)F)c1Br
Show InChI InChI=1S/C25H29BrF3N7/c26-21-22(30)31-16-32-24(21)35-10-6-17(7-11-35)23-33-20(15-36(23)13-12-34-8-1-2-9-34)18-4-3-5-19(14-18)25(27,28)29/h3-5,14-17H,1-2,6-13H2,(H2,30,31,32)
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n/an/a 4.20n/an/an/an/a7.5n/a



Merck Patent GmbH

US Patent


Assay Description
A TTP Mosquito liquid handling instrument is used to place 125n1 of the appropriate concentration of inhibitor in 100% DMSO (for a dose response curv...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM182410
PNG
(US9145392, 111)
Show SMILES CCc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN1CCC1)-c1ccnc(C)c1
Show InChI InChI=1S/C25H34N8/c1-3-21-23(26)28-17-29-25(21)32-11-6-19(7-12-32)24-30-22(20-5-8-27-18(2)15-20)16-33(24)14-13-31-9-4-10-31/h5,8,15-17,19H,3-4,6-7,9-14H2,1-2H3,(H2,26,28,29)
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n/an/a 8.70n/an/an/an/a7.525



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds are diluted and plated in 96 well plates. A reaction mixture including the following components is then added to the compo...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair