BindingDB logo
myBDB logout

66 similar compounds to monomer 182305

Compile data set for download or QSAR
Wt: 477.5
BDBM182438
Wt: 518.5
BDBM182439
Wt: 504.4
BDBM182442
Wt: 499.3
BDBM182300
Wt: 445.4
BDBM182306
Wt: 502.5
BDBM182307
Wt: 532.5
BDBM182377
Wt: 517.5
BDBM182514
Wt: 514.4
BDBM182309
Wt: 526.5
BDBM182310
Wt: 420.4
BDBM182311
Wt: 510.5
BDBM182312
Wt: 526.5
BDBM182313
Wt: 521.5
BDBM182314
Wt: 505.5
BDBM182381
Displayed 1 to 15 (of 66 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 29 hits for monomerid = 182438,182439,182442,182300,182306,182307,182377,182514,182309,182310,182311,182312,182313,182314,182381   
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))
BDBM182438
PNG
(US9145392, 139)
Show SMILES CCc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C23H27F4N7/c1-2-16-20(29)30-13-31-22(16)33-8-5-14(6-9-33)21-32-19(12-34(21)10-7-28)15-3-4-18(24)17(11-15)23(25,26)27/h3-4,11-14H,2,5-10,28H2,1H3,(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 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))
BDBM182381
PNG
(US9145392, 82)
Show SMILES CCc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN(C)C)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H31F4N7/c1-4-18-22(30)31-15-32-24(18)35-9-7-16(8-10-35)23-33-21(14-36(23)12-11-34(2)3)17-5-6-20(26)19(13-17)25(27,28)29/h5-6,13-16H,4,7-12H2,1-3H3,(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
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM182442
PNG
(US9145392, 143)
Show SMILES NC(=O)c1c(N)ncnc1N1CCC(CC1)c1nc(cn1C1CNC1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C23H24F4N8O/c24-16-2-1-13(7-15(16)23(25,26)27)17-10-35(14-8-30-9-14)21(33-17)12-3-5-34(6-4-12)22-18(20(29)36)19(28)31-11-32-22/h1-2,7,10-12,14,30H,3-6,8-9H2,(H2,29,36)(H2,28,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 16n/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))
BDBM182514
PNG
(US9145392, 215)
Show SMILES Cc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN1CCCC1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H31F4N7/c1-17-23(31)32-16-33-24(17)36-10-6-18(7-11-36)25-34-22(15-37(25)13-12-35-8-2-3-9-35)19-4-5-21(27)20(14-19)26(28,29)30/h4-5,14-16,18H,2-3,6-13H2,1H3,(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 6.10n/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
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM182300
PNG
(US9145392, 1)
Show SMILES Cn1cc(nc1C1CCN(CC1)c1ncnc(N)c1Br)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H19BrF4N6/c1-30-9-15(12-2-3-14(22)13(8-12)20(23,24)25)29-18(30)11-4-6-31(7-5-11)19-16(21)17(26)27-10-28-19/h2-3,8-11H,4-7H2,1H3,(H2,26,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 66n/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))
BDBM182306
PNG
(US9145392, 7)
Show SMILES Cn1cc(nc1C1CCN(CC1)c1ncnc(N)c1C#N)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H19F4N7/c1-31-10-17(13-2-3-16(22)15(8-13)21(23,24)25)30-19(31)12-4-6-32(7-5-12)20-14(9-26)18(27)28-11-29-20/h2-3,8,10-12H,4-7H2,1H3,(H2,27,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 110n/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))
BDBM182307
PNG
(US9145392, 8)
Show SMILES CN(C)CCn1cc(nc1C1CCN(CC1)c1ncnc(N)c1C#N)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H26F4N8/c1-34(2)9-10-36-13-20(16-3-4-19(25)18(11-16)24(26,27)28)33-22(36)15-5-7-35(8-6-15)23-17(12-29)21(30)31-14-32-23/h3-4,11,13-15H,5-10H2,1-2H3,(H2,30,31,32)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 9.10n/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))
BDBM182309
PNG
(US9145392, 10)
Show SMILES Cn1cc(nc1C1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H23F5N6/c1-36-13-21(17-4-7-20(28)19(12-17)26(29,30)31)35-24(36)16-8-10-37(11-9-16)25-22(23(32)33-14-34-25)15-2-5-18(27)6-3-15/h2-7,12-14,16H,8-11H2,1H3,(H2,32,33,34)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.20E+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))
BDBM182310
PNG
(US9145392, 11)
Show SMILES COc1ccc(cc1)-c1c(N)ncnc1N1CCC(CC1)c1nc(cn1C)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C27H26F4N6O/c1-36-14-22(18-5-8-21(28)20(13-18)27(29,30)31)35-25(36)17-9-11-37(12-10-17)26-23(24(32)33-15-34-26)16-3-6-19(38-2)7-4-16/h3-8,13-15,17H,9-12H2,1-2H3,(H2,32,33,34)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 520n/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))
BDBM182312
PNG
(US9145392, 13)
Show SMILES Cc1ccc(cc1)-c1c(N)ncnc1N1CCC(CC1)c1nc(cn1C)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C27H26F4N6/c1-16-3-5-17(6-4-16)23-24(32)33-15-34-26(23)37-11-9-18(10-12-37)25-35-22(14-36(25)2)19-7-8-21(28)20(13-19)27(29,30)31/h3-8,13-15,18H,9-12H2,1-2H3,(H2,32,33,34)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 8.30E+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))
BDBM182313
PNG
(US9145392, 14)
Show SMILES Cn1cc(nc1C1CCN(CC1)c1ncnc(N)c1-c1ccc(CO)cc1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C27H26F4N6O/c1-36-13-22(19-6-7-21(28)20(12-19)27(29,30)31)35-25(36)18-8-10-37(11-9-18)26-23(24(32)33-15-34-26)17-4-2-16(14-38)3-5-17/h2-7,12-13,15,18,38H,8-11,14H2,1H3,(H2,32,33,34)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 250n/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))
BDBM182314
PNG
(US9145392, 15)
Show SMILES Cn1cc(nc1C1CCN(CC1)c1ncnc(N)c1-c1cccc(c1)C#N)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C27H23F4N7/c1-37-14-22(18-5-6-21(28)20(12-18)27(29,30)31)36-25(37)17-7-9-38(10-8-17)26-23(24(33)34-15-35-26)19-4-2-3-16(11-19)13-32/h2-6,11-12,14-15,17H,7-10H2,1H3,(H2,33,34,35)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 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))
BDBM182377
PNG
(US9145392, 78)
Show SMILES NC(=O)c1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN1CCC1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H28F4N8O/c26-18-3-2-16(12-17(18)25(27,28)29)19-13-37(11-10-35-6-1-7-35)23(34-19)15-4-8-36(9-5-15)24-20(22(31)38)21(30)32-14-33-24/h2-3,12-15H,1,4-11H2,(H2,31,38)(H2,30,32,33)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 14n/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))
BDBM182381
PNG
(US9145392, 82)
Show SMILES CCc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN(C)C)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H31F4N7/c1-4-18-22(30)31-15-32-24(18)35-9-7-16(8-10-35)23-33-21(14-36(23)12-11-34(2)3)17-5-6-20(26)19(13-17)25(27,28)29/h5-6,13-16H,4,7-12H2,1-3H3,(H2,30,31,32)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 12n/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))
BDBM182438
PNG
(US9145392, 139)
Show SMILES CCc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C23H27F4N7/c1-2-16-20(29)30-13-31-22(16)33-8-5-14(6-9-33)21-32-19(12-34(21)10-7-28)15-3-4-18(24)17(11-15)23(25,26)27/h3-4,11-14H,2,5-10,28H2,1H3,(H2,29,30,31)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 6.60n/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))
BDBM182439
PNG
(US9145392, 140)
Show SMILES NC(=O)c1c(N)ncnc1N1CCC(CC1)c1nc(cn1CC1CNC1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H26F4N8O/c25-17-2-1-15(7-16(17)24(26,27)28)18-11-36(10-13-8-31-9-13)22(34-18)14-3-5-35(6-4-14)23-19(21(30)37)20(29)32-12-33-23/h1-2,7,11-14,31H,3-6,8-10H2,(H2,30,37)(H2,29,32,33)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 27n/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))
BDBM182442
PNG
(US9145392, 143)
Show SMILES NC(=O)c1c(N)ncnc1N1CCC(CC1)c1nc(cn1C1CNC1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C23H24F4N8O/c24-16-2-1-13(7-15(16)23(25,26)27)17-10-35(14-8-30-9-14)21(33-17)12-3-5-34(6-4-12)22-18(20(29)36)19(28)31-11-32-22/h1-2,7,10-12,14,30H,3-6,8-9H2,(H2,29,36)(H2,28,31,32)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 670n/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))
BDBM182514
PNG
(US9145392, 215)
Show SMILES Cc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN1CCCC1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H31F4N7/c1-17-23(31)32-16-33-24(17)36-10-6-18(7-11-36)25-34-22(15-37(25)13-12-35-8-2-3-9-35)19-4-5-21(27)20(14-19)26(28,29)30/h4-5,14-16,18H,2-3,6-13H2,1H3,(H2,31,32,33)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 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
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM182300
PNG
(US9145392, 1)
Show SMILES Cn1cc(nc1C1CCN(CC1)c1ncnc(N)c1Br)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H19BrF4N6/c1-30-9-15(12-2-3-14(22)13(8-12)20(23,24)25)29-18(30)11-4-6-31(7-5-11)19-16(21)17(26)27-10-28-19/h2-3,8-11H,4-7H2,1H3,(H2,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.10n/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))
BDBM182306
PNG
(US9145392, 7)
Show SMILES Cn1cc(nc1C1CCN(CC1)c1ncnc(N)c1C#N)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H19F4N7/c1-31-10-17(13-2-3-16(22)15(8-13)21(23,24)25)30-19(31)12-4-6-32(7-5-12)20-14(9-26)18(27)28-11-29-20/h2-3,8,10-12H,4-7H2,1H3,(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 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))
BDBM182307
PNG
(US9145392, 8)
Show SMILES CN(C)CCn1cc(nc1C1CCN(CC1)c1ncnc(N)c1C#N)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H26F4N8/c1-34(2)9-10-36-13-20(16-3-4-19(25)18(11-16)24(26,27)28)33-22(36)15-5-7-35(8-6-15)23-17(12-29)21(30)31-14-32-23/h3-4,11,13-15H,5-10H2,1-2H3,(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 1.80n/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))
BDBM182309
PNG
(US9145392, 10)
Show SMILES Cn1cc(nc1C1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H23F5N6/c1-36-13-21(17-4-7-20(28)19(12-17)26(29,30)31)35-24(36)16-8-10-37(11-9-16)25-22(23(32)33-14-34-25)15-2-5-18(27)6-3-15/h2-7,12-14,16H,8-11H2,1H3,(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 3.40n/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))
BDBM182310
PNG
(US9145392, 11)
Show SMILES COc1ccc(cc1)-c1c(N)ncnc1N1CCC(CC1)c1nc(cn1C)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C27H26F4N6O/c1-36-14-22(18-5-8-21(28)20(13-18)27(29,30)31)35-25(36)17-9-11-37(12-10-17)26-23(24(32)33-15-34-26)16-3-6-19(38-2)7-4-16/h3-8,13-15,17H,9-12H2,1-2H3,(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 4.70n/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))
BDBM182311
PNG
(US9145392, 12)
Show SMILES Cn1cc(nc1C1CCN(CC1)c1cc(N)ncn1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H20F4N6/c1-29-10-16(13-2-3-15(21)14(8-13)20(22,23)24)28-19(29)12-4-6-30(7-5-12)18-9-17(25)26-11-27-18/h2-3,8-12H,4-7H2,1H3,(H2,25,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 87n/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))
BDBM182312
PNG
(US9145392, 13)
Show SMILES Cc1ccc(cc1)-c1c(N)ncnc1N1CCC(CC1)c1nc(cn1C)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C27H26F4N6/c1-16-3-5-17(6-4-16)23-24(32)33-15-34-26(23)37-11-9-18(10-12-37)25-35-22(14-36(25)2)19-7-8-21(28)20(13-19)27(29,30)31/h3-8,13-15,18H,9-12H2,1-2H3,(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 7.30n/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))
BDBM182313
PNG
(US9145392, 14)
Show SMILES Cn1cc(nc1C1CCN(CC1)c1ncnc(N)c1-c1ccc(CO)cc1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C27H26F4N6O/c1-36-13-22(19-6-7-21(28)20(12-19)27(29,30)31)35-25(36)18-8-10-37(11-9-18)26-23(24(32)33-15-34-26)17-4-2-16(14-38)3-5-17/h2-7,12-13,15,18,38H,8-11,14H2,1H3,(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 1.90n/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))
BDBM182314
PNG
(US9145392, 15)
Show SMILES Cn1cc(nc1C1CCN(CC1)c1ncnc(N)c1-c1cccc(c1)C#N)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C27H23F4N7/c1-37-14-22(18-5-6-21(28)20(12-18)27(29,30)31)36-25(37)17-7-9-38(10-8-17)26-23(24(33)34-15-35-26)19-4-2-3-16(11-19)13-32/h2-6,11-12,14-15,17H,7-10H2,1H3,(H2,33,34,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 11n/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))
BDBM182377
PNG
(US9145392, 78)
Show SMILES NC(=O)c1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN1CCC1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H28F4N8O/c26-18-3-2-16(12-17(18)25(27,28)29)19-13-37(11-10-35-6-1-7-35)23(34-19)15-4-8-36(9-5-15)24-20(22(31)38)21(30)32-14-33-24/h2-3,12-15H,1,4-11H2,(H2,31,38)(H2,30,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 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))
BDBM182439
PNG
(US9145392, 140)
Show SMILES NC(=O)c1c(N)ncnc1N1CCC(CC1)c1nc(cn1CC1CNC1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H26F4N8O/c25-17-2-1-15(7-16(17)24(26,27)28)18-11-36(10-13-8-31-9-13)22(34-18)14-3-5-35(6-4-14)23-19(21(30)37)20(29)32-12-33-23/h1-2,7,11-14,31H,3-6,8-10H2,(H2,30,37)(H2,29,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 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