BindingDB logo
myBDB logout

Patent code US9662330

Compile Data Set for Download or QSAR

Found 243 hits of Enzyme Inhibition Constant Data   
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))
BDBM224328
PNG
(US10080750, Compound 5 | US9321760, 5 | US9662330,...)
Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1Br)c1ccccc1
Show InChI InChI=1S/C16H21BrN6/c17-14-15(19)20-11-21-16(14)23-8-6-22(7-9-23)13(10-18)12-4-2-1-3-5-12/h1-5,11,13H,6-10,18H2,(H2,19,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 330n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224337
PNG
(US10080750, Compound 14 | US9321760, 14 | US966233...)
Show SMILES CN(C)CC(N1CCN(CC1)c1ncnc(N)c1Br)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H24BrF3N6/c1-27(2)11-15(13-3-5-14(6-4-13)19(21,22)23)28-7-9-29(10-8-28)18-16(20)17(24)25-12-26-18/h3-6,12,15H,7-11H2,1-2H3,(H2,24,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 38n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224348
PNG
(US10080750, Compound 25 | US9321760, 25 | US966233...)
Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1C1=CCCC1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H27F3N6/c23-22(24,25)17-7-5-15(6-8-17)18(13-26)30-9-11-31(12-10-30)21-19(16-3-1-2-4-16)20(27)28-14-29-21/h3,5-8,14,18H,1-2,4,9-13,26H2,(H2,27,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 3.40n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224352
PNG
(US10080750, Compound 29 | US9321760, 29 | US966233...)
Show SMILES Cn1ccnc1C(N1CCN(CC1)c1ncnc(N)c1Br)c1ccccc1
Show InChI InChI=1S/C19H22BrN7/c1-25-8-7-22-19(25)16(14-5-3-2-4-6-14)26-9-11-27(12-10-26)18-15(20)17(21)23-13-24-18/h2-8,13,16H,9-12H2,1H3,(H2,21,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a>1.00E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224358
PNG
(US10080750, Compound 35 | US9321760, 35 | US966233...)
Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H21F3N6O/c18-17(19,20)12-3-1-11(2-4-12)13(9-21)25-5-7-26(8-6-25)16-14(27)15(22)23-10-24-16/h1-4,10,13,27H,5-9,21H2,(H2,22,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a>1.00E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224392
PNG
(US10080750, Compound 69 | US9321760, 69 | US966233...)
Show SMILES Nc1ncnc(N2CCN(CC2)C(CN2CCCC2)c2cccc(c2)C(F)(F)F)c1Br
Show InChI InChI=1S/C21H26BrF3N6/c22-18-19(26)27-14-28-20(18)31-10-8-30(9-11-31)17(13-29-6-1-2-7-29)15-4-3-5-16(12-15)21(23,24)25/h3-5,12,14,17H,1-2,6-11,13H2,(H2,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a>1.00E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224392
PNG
(US10080750, Compound 69 | US9321760, 69 | US966233...)
Show SMILES Nc1ncnc(N2CCN(CC2)C(CN2CCCC2)c2cccc(c2)C(F)(F)F)c1Br
Show InChI InChI=1S/C21H26BrF3N6/c22-18-19(26)27-14-28-20(18)31-10-8-30(9-11-31)17(13-29-6-1-2-7-29)15-4-3-5-16(12-15)21(23,24)25/h3-5,12,14,17H,1-2,6-11,13H2,(H2,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a>1.00E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224404
PNG
(US10080750, Compound 81 | US9321760, 81 | US966233...)
Show SMILES Nc1ncnc(N2CCN(CC2)C(CN2CCCC2)c2ccc(F)cc2)c1Cl
Show InChI InChI=1S/C20H26ClFN6/c21-18-19(23)24-14-25-20(18)28-11-9-27(10-12-28)17(13-26-7-1-2-8-26)15-3-5-16(22)6-4-15/h3-6,14,17H,1-2,7-13H2,(H2,23,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a>1.00E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224407
PNG
(US10080750, Compound 84 | US9321760, 84 | US966233...)
Show SMILES Nc1ncnc(N2CCN(CC2)C(CN2CCC2)c2cccc(F)c2)c1-c1cn[nH]c1
Show InChI InChI=1S/C22H27FN8/c23-18-4-1-3-16(11-18)19(14-29-5-2-6-29)30-7-9-31(10-8-30)22-20(17-12-27-28-13-17)21(24)25-15-26-22/h1,3-4,11-13,15,19H,2,5-10,14H2,(H,27,28)(H2,24,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 1.50E+4n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224410
PNG
(US10080750, Compound 87 | US9321760, 87 | US966233...)
Show SMILES Nc1ncnc(N2CCN(CC2)[C@H](CN2CCC2)c2cccc(F)c2)c1-c1cn[nH]c1
Show InChI InChI=1S/C22H27FN8/c23-18-4-1-3-16(11-18)19(14-29-5-2-6-29)30-7-9-31(10-8-30)22-20(17-12-27-28-13-17)21(24)25-15-26-22/h1,3-4,11-13,15,19H,2,5-10,14H2,(H,27,28)(H2,24,25,26)/t19-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 8.70E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224412
PNG
(US10080750, Compound 89 | US9321760, 89 | US966233...)
Show SMILES COC(=O)c1ccc(cc1)[C@@H](CN1CCC1)N1CCN(CC1)c1ncnc(N)c1-c1cn[nH]c1
Show InChI InChI=1S/C24H30N8O2/c1-34-24(33)18-5-3-17(4-6-18)20(15-30-7-2-8-30)31-9-11-32(12-10-31)23-21(19-13-28-29-14-19)22(25)26-16-27-23/h3-6,13-14,16,20H,2,7-12,15H2,1H3,(H,28,29)(H2,25,26,27)/t20-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 2.70E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224415
PNG
(US10080750, Compound 92 | US9321760, 92 | US966233...)
Show SMILES COc1ccc(cc1F)C(CN1CCC1)N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1
Show InChI InChI=1S/C26H30F2N6O/c1-35-23-8-5-19(15-21(23)28)22(16-32-9-2-10-32)33-11-13-34(14-12-33)26-24(25(29)30-17-31-26)18-3-6-20(27)7-4-18/h3-8,15,17,22H,2,9-14,16H2,1H3,(H2,29,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 300n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224458
PNG
(US10080750, Compound 135 | US9321760, 135 | US9662...)
Show SMILES Nc1ncnc(N2CCN(CC2)C(CN2CCC2)c2ccc(F)c(Cl)c2)c1-c1cn[nH]c1
Show InChI InChI=1S/C22H26ClFN8/c23-17-10-15(2-3-18(17)24)19(13-30-4-1-5-30)31-6-8-32(9-7-31)22-20(16-11-28-29-12-16)21(25)26-14-27-22/h2-3,10-12,14,19H,1,4-9,13H2,(H,28,29)(H2,25,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 3.60E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224472
PNG
(US10080750, Compound 150 | US9321760, 150 | US9662...)
Show SMILES CN(C)CCNC(C1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C26H32F2N6/c1-33(2)16-13-30-24(19-5-9-22(28)10-6-19)20-11-14-34(15-12-20)26-23(25(29)31-17-32-26)18-3-7-21(27)8-4-18/h3-10,17,20,24,30H,11-16H2,1-2H3,(H2,29,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 33n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224479
PNG
(US10080750, Compound 157 | US9321760, 157 | US9662...)
Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H23Cl2FN6/c23-17-6-3-15(11-18(17)24)19(12-26)30-7-9-31(10-8-30)22-20(21(27)28-13-29-22)14-1-4-16(25)5-2-14/h1-6,11,13,19H,7-10,12,26H2,(H2,27,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 6n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224482
PNG
(US10080750, Compound 160 | US9321760, 160 | US9662...)
Show SMILES Nc1ncnc(N2CCN(CC2)C(C#N)c2ccc(F)c(Cl)c2)c1-c1ccc(F)cc1
Show InChI InChI=1S/C22H19ClF2N6/c23-17-11-15(3-6-18(17)25)19(12-26)30-7-9-31(10-8-30)22-20(21(27)28-13-29-22)14-1-4-16(24)5-2-14/h1-6,11,13,19H,7-10H2,(H2,27,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 590n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224485
PNG
(US10080750, Compound 163 | US9321760, 163 | US9662...)
Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H24ClFN6/c23-17-5-1-15(2-6-17)19(13-25)29-9-11-30(12-10-29)22-20(21(26)27-14-28-22)16-3-7-18(24)8-4-16/h1-8,14,19H,9-13,25H2,(H2,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 1.30n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224487
PNG
(US10080750, Compound 165 | US9321760, 165 | US9662...)
Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C22H23ClF2N6/c23-17-6-3-15(11-18(17)25)19(12-26)30-7-9-31(10-8-30)22-20(21(27)28-13-29-22)14-1-4-16(24)5-2-14/h1-6,11,13,19H,7-10,12,26H2,(H2,27,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 0.900n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224496
PNG
(US10080750, Compound 174 | US9321760, 174 | US9662...)
Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(Cl)nc1
Show InChI InChI=1S/C21H23ClFN7/c22-18-6-3-15(12-26-18)17(11-24)29-7-9-30(10-8-29)21-19(20(25)27-13-28-21)14-1-4-16(23)5-2-14/h1-6,12-13,17H,7-11,24H2,(H2,25,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 8.5n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224505
PNG
(US10080750, Compound 183 | US9321760, 183 | US9662...)
Show SMILES COc1ccc(cn1)C(CN)N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1
Show InChI InChI=1S/C22H26FN7O/c1-31-19-7-4-16(13-26-19)18(12-24)29-8-10-30(11-9-29)22-20(21(25)27-14-28-22)15-2-5-17(23)6-3-15/h2-7,13-14,18H,8-12,24H2,1H3,(H2,25,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 3.40n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224517
PNG
(US10080750, Compound 195 | US9321760, 195 | US9662...)
Show SMILES Nc1ncnc(N2CCC(N)(CNC(=O)c3ccc(F)cc3F)C2)c1Br
Show InChI InChI=1S/C16H17BrF2N6O/c17-12-13(20)23-8-24-14(12)25-4-3-16(21,7-25)6-22-15(26)10-2-1-9(18)5-11(10)19/h1-2,5,8H,3-4,6-7,21H2,(H,22,26)(H2,20,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 3.30n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224540
PNG
(US10080750, Compound 223 | US9321760, 223 | US9662...)
Show SMILES Nc1ncnc(N2CCC(N)(CC2)C(=O)N[C@@H](CCO)c2ccc(cc2)C(F)(F)F)c1Cl
Show InChI InChI=1S/C20H24ClF3N6O2/c21-15-16(25)27-11-28-17(15)30-8-6-19(26,7-9-30)18(32)29-14(5-10-31)12-1-3-13(4-2-12)20(22,23)24/h1-4,11,14,31H,5-10,26H2,(H,29,32)(H2,25,27,28)/t14-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 2.20E+4n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224339
PNG
(US10080750, Compound 16 | US9321760, 16 | US966233...)
Show SMILES CN(C)C[C@@H](N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H28F4N6/c1-33(2)15-21(17-3-7-19(8-4-17)25(27,28)29)34-11-13-35(14-12-34)24-22(23(30)31-16-32-24)18-5-9-20(26)10-6-18/h3-10,16,21H,11-15H2,1-2H3,(H2,30,31,32)/t21-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 4.90n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224341
PNG
(US10080750, Compound 18 | US9321760, 18 | US966233...)
Show SMILES CN(C)CCNC(=O)C(N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C27H31F4N7O/c1-36(2)12-11-33-26(39)23(19-3-7-20(8-4-19)27(29,30)31)37-13-15-38(16-14-37)25-22(24(32)34-17-35-25)18-5-9-21(28)10-6-18/h3-10,17,23H,11-16H2,1-2H3,(H,33,39)(H2,32,34,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 18n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224346
PNG
(US10080750, Compound 23 | US9321760, 23 | US966233...)
Show SMILES COC(=O)c1ccc(cc1)-c1c(N)ncnc1N1CCN(CC1)C(CN(C)C)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C27H31F3N6O2/c1-34(2)16-22(18-8-10-21(11-9-18)27(28,29)30)35-12-14-36(15-13-35)25-23(24(31)32-17-33-25)19-4-6-20(7-5-19)26(37)38-3/h4-11,17,22H,12-16H2,1-3H3,(H2,31,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 12n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224359
PNG
(US10080750, Compound 36 | US9321760, 36 | US966233...)
Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1C#N)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C18H20F3N7/c19-18(20,21)13-3-1-12(2-4-13)15(10-23)27-5-7-28(8-6-27)17-14(9-22)16(24)25-11-26-17/h1-4,11,15H,5-8,10,23H2,(H2,24,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 14n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224368
PNG
(US10080750, Compound 45 | US9321760, 45 | US966233...)
Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1CN1CC(F)C1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H27F4N7/c22-16-10-30(11-16)12-17-19(27)28-13-29-20(17)32-7-5-31(6-8-32)18(9-26)14-1-3-15(4-2-14)21(23,24)25/h1-4,13,16,18H,5-12,26H2,(H2,27,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 210n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224379
PNG
(US10080750, Compound 56 | US9321760, 56 | US966233...)
Show SMILES NC[C@@H](C1CCN(CC1)c1ncnc(N)c1-c1cn[nH]c1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H24F3N7/c22-21(23,24)16-3-1-13(2-4-16)17(9-25)14-5-7-31(8-6-14)20-18(15-10-29-30-11-15)19(26)27-12-28-20/h1-4,10-12,14,17H,5-9,25H2,(H,29,30)(H2,26,27,28)/t17-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 22n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224385
PNG
(US10080750, Compound 62 | US9321760, 62 | US966233...)
Show SMILES Nc1ncnc(N2CCN(Cc3cc(Cl)c(Cl)cc3OC3CNC3)CC2)c1-c1ccc(F)cc1
Show InChI InChI=1S/C24H25Cl2FN6O/c25-19-9-16(21(10-20(19)26)34-18-11-29-12-18)13-32-5-7-33(8-6-32)24-22(23(28)30-14-31-24)15-1-3-17(27)4-2-15/h1-4,9-10,14,18,29H,5-8,11-13H2,(H2,28,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 980n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224386
PNG
(US10080750, Compound 63 | US9321760, 63 | US966233...)
Show SMILES CC(N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(Cl)cc1OC1CNC1
Show InChI InChI=1S/C25H28ClFN6O/c1-16(21-7-4-18(26)12-22(21)34-20-13-29-14-20)32-8-10-33(11-9-32)25-23(24(28)30-15-31-25)17-2-5-19(27)6-3-17/h2-7,12,15-16,20,29H,8-11,13-14H2,1H3,(H2,28,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 980n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224396
PNG
(US10080750, Compound 73 | US9321760, 73 | US966233...)
Show SMILES Nc1cc(ncn1)N1CCN(CC1)C(CN1CCCC1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C21H27F3N6/c22-21(23,24)17-5-3-4-16(12-17)18(14-28-6-1-2-7-28)29-8-10-30(11-9-29)20-13-19(25)26-15-27-20/h3-5,12-13,15,18H,1-2,6-11,14H2,(H2,25,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a>1.00E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224402
PNG
(US10080750, Compound 79 | US9321760, 79 | US966233...)
Show SMILES Nc1cc(ncn1)N1CCN(CC1)C(CN1CCCCC1)c1ccc(F)cc1
Show InChI InChI=1S/C21H29FN6/c22-18-6-4-17(5-7-18)19(15-26-8-2-1-3-9-26)27-10-12-28(13-11-27)21-14-20(23)24-16-25-21/h4-7,14,16,19H,1-3,8-13,15H2,(H2,23,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a>1.00E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224409
PNG
(US10080750, Compound 86 | US9321760, 86 | US966233...)
Show SMILES COC(=O)c1ccc(cc1)C(CN1CCC1)N1CCN(CC1)c1ncnc(N)c1-c1cn[nH]c1
Show InChI InChI=1S/C24H30N8O2/c1-34-24(33)18-5-3-17(4-6-18)20(15-30-7-2-8-30)31-9-11-32(12-10-31)23-21(19-13-28-29-14-19)22(25)26-16-27-23/h3-6,13-14,16,20H,2,7-12,15H2,1H3,(H,28,29)(H2,25,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 6.40E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224414
PNG
(US10080750, Compound 91 | US9321760, 91 | US966233...)
Show SMILES Nc1ncnc(N2CCN(CC2)[C@@H](CN2CCC2)c2cccc(c2)C#N)c1-c1cn[nH]c1
Show InChI InChI=1S/C23H27N9/c24-12-17-3-1-4-18(11-17)20(15-30-5-2-6-30)31-7-9-32(10-8-31)23-21(19-13-28-29-14-19)22(25)26-16-27-23/h1,3-4,11,13-14,16,20H,2,5-10,15H2,(H,28,29)(H2,25,26,27)/t20-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 6.30E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM285912
PNG
(3-((S)-1-{4-[6-Amino-5-(1H-pyrazol-4-yl)-pyrimidin...)
Show SMILES Nc1ncnc(N2CCN(CC2)[C@H](CN2CCC2)c2cccc(c2)C#N)c1-c1cn[nH]c1
Show InChI InChI=1S/C23H27N9/c24-12-17-3-1-4-18(11-17)20(15-30-5-2-6-30)31-7-9-32(10-8-31)23-21(19-13-28-29-14-19)22(25)26-16-27-23/h1,3-4,11,13-14,16,20H,2,5-10,15H2,(H,28,29)(H2,25,26,27)/t20-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 3.70E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224433
PNG
(US10080750, Compound 110 | US9321760, 110 | US9662...)
Show SMILES COC(=O)c1ccc(cc1)[C@@H](CN1CCC1)N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1
Show InChI InChI=1S/C27H31FN6O2/c1-36-27(35)21-5-3-19(4-6-21)23(17-32-11-2-12-32)33-13-15-34(16-14-33)26-24(25(29)30-18-31-26)20-7-9-22(28)10-8-20/h3-10,18,23H,2,11-17H2,1H3,(H2,29,30,31)/t23-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 450n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224439
PNG
(US10080750, Compound 116 | US9321760, 116 | US9662...)
Show SMILES Nc1ncnc(N2CCN(CC2)C(CN2CCC2)c2ccc(cc2)-n2ccnc2)c1-c1ccc(F)cc1
Show InChI InChI=1S/C28H31FN8/c29-23-6-2-22(3-7-23)26-27(30)32-19-33-28(26)36-16-14-35(15-17-36)25(18-34-11-1-12-34)21-4-8-24(9-5-21)37-13-10-31-20-37/h2-10,13,19-20,25H,1,11-12,14-18H2,(H2,30,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 290n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224443
PNG
(US10080750, Compound 120 | US9321760, 120 | US9662...)
Show SMILES Nc1ncnc(N2CCN(CC2)C(CN2CCC2)c2ccc(cc2F)C(F)(F)F)c1-c1cn[nH]c1
Show InChI InChI=1S/C23H26F4N8/c24-18-10-16(23(25,26)27)2-3-17(18)19(13-33-4-1-5-33)34-6-8-35(9-7-34)22-20(15-11-31-32-12-15)21(28)29-14-30-22/h2-3,10-12,14,19H,1,4-9,13H2,(H,31,32)(H2,28,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 1.10E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224444
PNG
(US10080750, Compound 121 | US9321760, 121 | US9662...)
Show SMILES Nc1ncnc(N2CCN(CC2)C(CN2CCC2)c2ccc(Cl)c(F)c2)c1-c1cn[nH]c1
Show InChI InChI=1S/C22H26ClFN8/c23-17-3-2-15(10-18(17)24)19(13-30-4-1-5-30)31-6-8-32(9-7-31)22-20(16-11-28-29-12-16)21(25)26-14-27-22/h2-3,10-12,14,19H,1,4-9,13H2,(H,28,29)(H2,25,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 900n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224448
PNG
(US10080750, Compound 125 | US9321760, 125 | US9662...)
Show SMILES Nc1ncnc(N2CCN(CC2)[C@H](CN2CCC2)c2cccc(c2)C#N)c1-c1ccc(F)cc1
Show InChI InChI=1S/C26H28FN7/c27-22-7-5-20(6-8-22)24-25(29)30-18-31-26(24)34-13-11-33(12-14-34)23(17-32-9-2-10-32)21-4-1-3-19(15-21)16-28/h1,3-8,15,18,23H,2,9-14,17H2,(H2,29,30,31)/t23-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 1.20E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224450
PNG
(US10080750, Compound 127 | US9321760, 127 | US9662...)
Show SMILES Nc1ncnc(N2CCN(CC2)C(CN2CCC2)c2ccc(c(F)c2)C(F)(F)F)c1-c1cn[nH]c1
Show InChI InChI=1S/C23H26F4N8/c24-18-10-15(2-3-17(18)23(25,26)27)19(13-33-4-1-5-33)34-6-8-35(9-7-34)22-20(16-11-31-32-12-16)21(28)29-14-30-22/h2-3,10-12,14,19H,1,4-9,13H2,(H,31,32)(H2,28,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 550n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224451
PNG
(US10080750, Compound 128 | US9321760, 128 | US9662...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C(CN1CCC1)N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1
Show InChI InChI=1S/C26H31FN6O2S/c1-36(34,35)22-9-5-19(6-10-22)23(17-31-11-2-12-31)32-13-15-33(16-14-32)26-24(25(28)29-18-30-26)20-3-7-21(27)8-4-20/h3-10,18,23H,2,11-17H2,1H3,(H2,28,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 280n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224454
PNG
(US10080750, Compound 131 | US9321760, 131 | US9662...)
Show SMILES Nc1ncnc(N2CCN(CC2)C(CN2CCC2)c2ccc(Cl)c(Cl)c2)c1-c1cn[nH]c1
Show InChI InChI=1S/C22H26Cl2N8/c23-17-3-2-15(10-18(17)24)19(13-30-4-1-5-30)31-6-8-32(9-7-31)22-20(16-11-28-29-12-16)21(25)26-14-27-22/h2-3,10-12,14,19H,1,4-9,13H2,(H,28,29)(H2,25,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 1.50E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224475
PNG
(US10080750, Compound 153 | US9321760, 153 | US9662...)
Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H24F4N6/c24-18-6-4-15(5-7-18)20-21(29)30-14-31-22(20)33-10-8-32(9-11-33)19(13-28)16-2-1-3-17(12-16)23(25,26)27/h1-7,12,14,19H,8-11,13,28H2,(H2,29,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 11n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224486
PNG
(US10080750, Compound 164 | US9321760, 164 | US9662...)
Show SMILES Nc1ncnc(N2CCN(CC2)C(C#N)c2ccc(Cl)c(F)c2)c1-c1ccc(F)cc1
Show InChI InChI=1S/C22H19ClF2N6/c23-17-6-3-15(11-18(17)25)19(12-26)30-7-9-31(10-8-30)22-20(21(27)28-13-29-22)14-1-4-16(24)5-2-14/h1-6,11,13,19H,7-10H2,(H2,27,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 44n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224493
PNG
(US10080750, Compound 171 | US9321760, 171 | US9662...)
Show SMILES C[C@@H]([C@H](CN)N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C24H29FN6/c1-17(18-5-3-2-4-6-18)21(15-26)30-11-13-31(14-12-30)24-22(23(27)28-16-29-24)19-7-9-20(25)10-8-19/h2-10,16-17,21H,11-15,26H2,1H3,(H2,27,28,29)/t17-,21+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 73n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224498
PNG
(US10080750, Compound 176 | US9321760, 176 | US9662...)
Show SMILES NC[C@@H](N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(Cl)nc1
Show InChI InChI=1S/C21H23ClFN7/c22-18-6-3-15(12-26-18)17(11-24)29-7-9-30(10-8-29)21-19(20(25)27-13-28-21)14-1-4-16(23)5-2-14/h1-6,12-13,17H,7-11,24H2,(H2,25,27,28)/t17-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 0.800n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224507
PNG
(US10080750, Compound 185 | US9321760, 185 | US9662...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C(CN)N1CCN(CC1)c1ncnc(N)c1-c1cn[nH]c1
Show InChI InChI=1S/C20H26N8O2S/c1-31(29,30)16-4-2-14(3-5-16)17(10-21)27-6-8-28(9-7-27)20-18(15-11-25-26-12-15)19(22)23-13-24-20/h2-5,11-13,17H,6-10,21H2,1H3,(H,25,26)(H2,22,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 60n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224509
PNG
(US10080750, Compound 187 | US9321760, 187 | US9662...)
Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1-c1cn[nH]c1)c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C19H22ClFN8/c20-14-2-1-12(7-15(14)21)16(8-22)28-3-5-29(6-4-28)19-17(13-9-26-27-10-13)18(23)24-11-25-19/h1-2,7,9-11,16H,3-6,8,22H2,(H,26,27)(H2,23,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 6.10n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224510
PNG
(US10080750, Compound 188 | US9321760, 188 | US9662...)
Show SMILES CCc1c(N)ncnc1N1CCN(CC1)C(CN)C1CCCCC1
Show InChI InChI=1S/C18H32N6/c1-2-15-17(20)21-13-22-18(15)24-10-8-23(9-11-24)16(12-19)14-6-4-3-5-7-14/h13-14,16H,2-12,19H2,1H3,(H2,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a>1.00E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)


Article DOI: 10.1021/jm0507781
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 243 total )  |  Next  |  Last  >>
* indicates data uncertainty>20%