BindingDB logo
myBDB logout

51 similar compounds to monomer 182535

Compile data set for download or QSAR
Wt: 537.9
BDBM182508
Wt: 535.9
BDBM182509
Wt: 503.5
BDBM182513
Wt: 548.8
BDBM182565
Wt: 548.8
BDBM182567
Wt: 485.5
BDBM182569
Wt: 517.5
BDBM182365
Wt: 480.0
BDBM182572
Wt: 552.0
BDBM182515
Wt: 523.9
BDBM182517
Wt: 489.5
BDBM182520
Wt: 532.4
BDBM182525
Wt: 514.4
BDBM182526
Wt: 449.5
BDBM182577
Wt: 467.5
BDBM182581
Displayed 1 to 15 (of 51 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 182508,182509,182513,182565,182567,182569,182365,182572,182515,182517,182520,182525,182526,182577,182581   
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))
BDBM182508
PNG
(US9145392, 209)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCCC2)-c2ccc(F)c(c2)C(F)(F)F)c1Cl
Show InChI InChI=1S/C25H28ClF4N7/c26-21-22(31)32-15-33-24(21)36-9-5-16(6-10-36)23-34-20(14-37(23)12-11-35-7-1-2-8-35)17-3-4-19(27)18(13-17)25(28,29)30/h3-4,13-16H,1-2,5-12H2,(H2,31,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.10n/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))
BDBM182365
PNG
(US9145392, 66)
Show SMILES Nc1cc(ncn1)N1CCC(CC1)c1nc(cn1CCN1CCCCC1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H31F4N7/c27-21-5-4-19(14-20(21)26(28,29)30)22-16-37(13-12-35-8-2-1-3-9-35)25(34-22)18-6-10-36(11-7-18)24-15-23(31)32-17-33-24/h4-5,14-18H,1-3,6-13H2,(H2,31,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 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))
BDBM182513
PNG
(US9145392, 214)
Show SMILES Nc1cc(ncn1)N1CCC(CC1)c1nc(cn1CCN1CCCC1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H29F4N7/c26-20-4-3-18(13-19(20)25(27,28)29)21-15-36(12-11-34-7-1-2-8-34)24(33-21)17-5-9-35(10-6-17)23-14-22(30)31-16-32-23/h3-4,13-17H,1-2,5-12H2,(H2,30,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 50n/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))
BDBM182515
PNG
(US9145392, 216)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCCCC2)-c2ccc(F)c(c2)C(F)(F)F)c1Cl
Show InChI InChI=1S/C26H30ClF4N7/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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.80n/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))
BDBM182517
PNG
(US9145392, 218)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCC2)-c2ccc(F)c(c2)C(F)(F)F)c1Cl
Show InChI InChI=1S/C24H26ClF4N7/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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
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))
BDBM182520
PNG
(US9145392, 221)
Show SMILES Nc1cc(ncn1)N1CCC(CC1)c1nc(cn1CCN1CCC1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H27F4N7/c25-19-3-2-17(12-18(19)24(26,27)28)20-14-35(11-10-33-6-1-7-33)23(32-20)16-4-8-34(9-5-16)22-13-21(29)30-15-31-22/h2-3,12-16H,1,4-11H2,(H2,29,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 21n/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))
BDBM182525
PNG
(US9145392, 226)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCCC2)-c2ccc(F)c(F)c2)c1Br
Show InChI InChI=1S/C24H28BrF2N7/c25-21-22(28)29-15-30-24(21)33-9-5-16(6-10-33)23-31-20(17-3-4-18(26)19(27)13-17)14-34(23)12-11-32-7-1-2-8-32/h3-4,13-16H,1-2,5-12H2,(H2,28,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
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))
BDBM182526
PNG
(US9145392, 227)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCCC2)-c2ccc(F)cc2)c1Br
Show InChI InChI=1S/C24H29BrFN7/c25-21-22(27)28-16-29-24(21)32-11-7-18(8-12-32)23-30-20(17-3-5-19(26)6-4-17)15-33(23)14-13-31-9-1-2-10-31/h3-6,15-16,18H,1-2,7-14H2,(H2,27,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.40n/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))
BDBM182565
PNG
(US9145392, 266)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCCC2)-c2ccc(Cl)c(F)c2)c1Br
Show InChI InChI=1S/C24H28BrClFN7/c25-21-22(28)29-15-30-24(21)33-9-5-16(6-10-33)23-31-20(17-3-4-18(26)19(27)13-17)14-34(23)12-11-32-7-1-2-8-32/h3-4,13-16H,1-2,5-12H2,(H2,28,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.30n/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))
BDBM182567
PNG
(US9145392, 268)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCCC2)-c2ccc(F)c(Cl)c2)c1Br
Show InChI InChI=1S/C24H28BrClFN7/c25-21-22(28)29-15-30-24(21)33-9-5-16(6-10-33)23-31-20(17-3-4-19(27)18(26)13-17)14-34(23)12-11-32-7-1-2-8-32/h3-4,13-16H,1-2,5-12H2,(H2,28,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.40n/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))
BDBM182569
PNG
(US9145392, 270)
Show SMILES Nc1cc(ncn1)N1CCC(CC1)c1nc(cn1CCN1CCCC1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H30F3N7/c26-25(27,28)20-5-3-18(4-6-20)21-16-35(14-13-33-9-1-2-10-33)24(32-21)19-7-11-34(12-8-19)23-15-22(29)30-17-31-23/h3-6,15-17,19H,1-2,7-14H2,(H2,29,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 360n/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))
BDBM182572
PNG
(US9145392, 273)
Show SMILES CCc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN1CCCC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H34ClN7/c1-2-22-24(28)29-18-30-26(22)33-13-9-20(10-14-33)25-31-23(19-5-7-21(27)8-6-19)17-34(25)16-15-32-11-3-4-12-32/h5-8,17-18,20H,2-4,9-16H2,1H3,(H2,28,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 7.40n/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))
BDBM182577
PNG
(US9145392, 278)
Show SMILES CCc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN1CCC1)-c1cccc(F)c1
Show InChI InChI=1S/C25H32FN7/c1-2-21-23(27)28-17-29-25(21)32-11-7-18(8-12-32)24-30-22(19-5-3-6-20(26)15-19)16-33(24)14-13-31-9-4-10-31/h3,5-6,15-18H,2,4,7-14H2,1H3,(H2,27,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 4.60n/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))
BDBM182581
PNG
(US9145392, 282)
Show SMILES CCc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN1CCC1)-c1ccc(F)c(F)c1
Show InChI InChI=1S/C25H31F2N7/c1-2-19-23(28)29-16-30-25(19)33-10-6-17(7-11-33)24-31-22(18-4-5-20(26)21(27)14-18)15-34(24)13-12-32-8-3-9-32/h4-5,14-17H,2-3,6-13H2,1H3,(H2,28,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.80n/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
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM182365
PNG
(US9145392, 66)
Show SMILES Nc1cc(ncn1)N1CCC(CC1)c1nc(cn1CCN1CCCCC1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H31F4N7/c27-21-5-4-19(14-20(21)26(28,29)30)22-16-37(13-12-35-8-2-1-3-9-35)25(34-22)18-6-10-36(11-7-18)24-15-23(31)32-17-33-24/h4-5,14-18H,1-3,6-13H2,(H2,31,32,33)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 410n/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))
BDBM182508
PNG
(US9145392, 209)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCCC2)-c2ccc(F)c(c2)C(F)(F)F)c1Cl
Show InChI InChI=1S/C25H28ClF4N7/c26-21-22(31)32-15-33-24(21)36-9-5-16(6-10-36)23-34-20(14-37(23)12-11-35-7-1-2-8-35)17-3-4-19(27)18(13-17)25(28,29)30/h3-4,13-16H,1-2,5-12H2,(H2,31,32,33)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.20n/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))
BDBM182509
PNG
(US9145392, 210)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCCC2)-c2ccc(O)c(c2)C(F)(F)F)c1Cl
Show InChI InChI=1S/C25H29ClF3N7O/c26-21-22(30)31-15-32-24(21)35-9-5-16(6-10-35)23-33-19(14-36(23)12-11-34-7-1-2-8-34)17-3-4-20(37)18(13-17)25(27,28)29/h3-4,13-16,37H,1-2,5-12H2,(H2,30,31,32)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 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))
BDBM182513
PNG
(US9145392, 214)
Show SMILES Nc1cc(ncn1)N1CCC(CC1)c1nc(cn1CCN1CCCC1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H29F4N7/c26-20-4-3-18(13-19(20)25(27,28)29)21-15-36(12-11-34-7-1-2-8-34)24(33-21)17-5-9-35(10-6-17)23-14-22(30)31-16-32-23/h3-4,13-17H,1-2,5-12H2,(H2,30,31,32)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 180n/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))
BDBM182515
PNG
(US9145392, 216)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCCCC2)-c2ccc(F)c(c2)C(F)(F)F)c1Cl
Show InChI InChI=1S/C26H30ClF4N7/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)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
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))
BDBM182517
PNG
(US9145392, 218)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCC2)-c2ccc(F)c(c2)C(F)(F)F)c1Cl
Show InChI InChI=1S/C24H26ClF4N7/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)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1n/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))
BDBM182520
PNG
(US9145392, 221)
Show SMILES Nc1cc(ncn1)N1CCC(CC1)c1nc(cn1CCN1CCC1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H27F4N7/c25-19-3-2-17(12-18(19)24(26,27)28)20-14-35(11-10-33-6-1-7-33)23(32-20)16-4-8-34(9-5-16)22-13-21(29)30-15-31-22/h2-3,12-16H,1,4-11H2,(H2,29,30,31)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 71n/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))
BDBM182525
PNG
(US9145392, 226)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCCC2)-c2ccc(F)c(F)c2)c1Br
Show InChI InChI=1S/C24H28BrF2N7/c25-21-22(28)29-15-30-24(21)33-9-5-16(6-10-33)23-31-20(17-3-4-18(26)19(27)13-17)14-34(23)12-11-32-7-1-2-8-32/h3-4,13-16H,1-2,5-12H2,(H2,28,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
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))
BDBM182526
PNG
(US9145392, 227)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCCC2)-c2ccc(F)cc2)c1Br
Show InChI InChI=1S/C24H29BrFN7/c25-21-22(27)28-16-29-24(21)32-11-7-18(8-12-32)23-30-20(17-3-5-19(26)6-4-17)15-33(23)14-13-31-9-1-2-10-31/h3-6,15-16,18H,1-2,7-14H2,(H2,27,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.90n/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))
BDBM182565
PNG
(US9145392, 266)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCCC2)-c2ccc(Cl)c(F)c2)c1Br
Show InChI InChI=1S/C24H28BrClFN7/c25-21-22(28)29-15-30-24(21)33-9-5-16(6-10-33)23-31-20(17-3-4-18(26)19(27)13-17)14-34(23)12-11-32-7-1-2-8-32/h3-4,13-16H,1-2,5-12H2,(H2,28,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 16n/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))
BDBM182567
PNG
(US9145392, 268)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCCC2)-c2ccc(F)c(Cl)c2)c1Br
Show InChI InChI=1S/C24H28BrClFN7/c25-21-22(28)29-15-30-24(21)33-9-5-16(6-10-33)23-31-20(17-3-4-19(27)18(26)13-17)14-34(23)12-11-32-7-1-2-8-32/h3-4,13-16H,1-2,5-12H2,(H2,28,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.80n/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))
BDBM182569
PNG
(US9145392, 270)
Show SMILES Nc1cc(ncn1)N1CCC(CC1)c1nc(cn1CCN1CCCC1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H30F3N7/c26-25(27,28)20-5-3-18(4-6-20)21-16-35(14-13-33-9-1-2-10-33)24(32-21)19-7-11-34(12-8-19)23-15-22(29)30-17-31-23/h3-6,15-17,19H,1-2,7-14H2,(H2,29,30,31)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
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))
BDBM182572
PNG
(US9145392, 273)
Show SMILES CCc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN1CCCC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H34ClN7/c1-2-22-24(28)29-18-30-26(22)33-13-9-20(10-14-33)25-31-23(19-5-7-21(27)8-6-19)17-34(25)16-15-32-11-3-4-12-32/h5-8,17-18,20H,2-4,9-16H2,1H3,(H2,28,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 190n/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))
BDBM182577
PNG
(US9145392, 278)
Show SMILES CCc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN1CCC1)-c1cccc(F)c1
Show InChI InChI=1S/C25H32FN7/c1-2-21-23(27)28-17-29-25(21)32-11-7-18(8-12-32)24-30-22(19-5-3-6-20(26)15-19)16-33(24)14-13-31-9-4-10-31/h3,5-6,15-18H,2,4,7-14H2,1H3,(H2,27,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 79.5n/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))
BDBM182581
PNG
(US9145392, 282)
Show SMILES CCc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN1CCC1)-c1ccc(F)c(F)c1
Show InChI InChI=1S/C25H31F2N7/c1-2-19-23(28)29-16-30-25(19)33-10-6-17(7-11-33)24-31-22(18-4-5-20(26)21(27)14-18)15-34(24)13-12-32-8-3-9-32/h4-5,14-17H,2-3,6-13H2,1H3,(H2,28,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 24n/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))
BDBM182509
PNG
(US9145392, 210)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCCC2)-c2ccc(O)c(c2)C(F)(F)F)c1Cl
Show InChI InChI=1S/C25H29ClF3N7O/c26-21-22(30)31-15-32-24(21)35-9-5-16(6-10-35)23-33-19(14-36(23)12-11-34-7-1-2-8-34)17-3-4-20(37)18(13-17)25(27,28)29/h3-4,13-16,37H,1-2,5-12H2,(H2,30,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.70n/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