BindingDB logo
myBDB logout

4 similar compounds to monomer 182504

Compile data set for download or QSAR
Wt: 480.9
BDBM182374
Wt: 467.0
BDBM182400
Wt: 494.9
BDBM182606
Wt: 477.0
BDBM182621

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 182374,182400,182606,182621   
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))
BDBM182400
PNG
(US9145392, 101)
Show SMILES CCc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN1CCC1)-c1cncc(Cl)c1
Show InChI InChI=1S/C24H31ClN8/c1-2-20-22(26)28-16-29-24(20)32-8-4-17(5-9-32)23-30-21(18-12-19(25)14-27-13-18)15-33(23)11-10-31-6-3-7-31/h12-17H,2-11H2,1H3,(H2,26,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 7.60n/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))
BDBM182606
PNG
(US9145392, 307)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCCC2)-c2ccc(F)c(Cl)c2)c1C#N
Show InChI InChI=1S/C25H28ClFN8/c26-20-13-18(3-4-21(20)27)22-15-35(12-11-33-7-1-2-8-33)24(32-22)17-5-9-34(10-6-17)25-19(14-28)23(29)30-16-31-25/h3-4,13,15-17H,1-2,5-12H2,(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 0.800n/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))
BDBM182621
PNG
(US9145392, 322)
Show SMILES Cc1ccc(cc1Cl)-c1cn(CCN2CCC2)c(n1)C1CCN(CC1)c1ncnc(N)c1C#N
Show InChI InChI=1S/C25H29ClN8/c1-17-3-4-19(13-21(17)26)22-15-34(12-11-32-7-2-8-32)24(31-22)18-5-9-33(10-6-18)25-20(14-27)23(28)29-16-30-25/h3-4,13,15-16,18H,2,5-12H2,1H3,(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 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))
BDBM182374
PNG
(US9145392, 75)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCC2)-c2ccc(F)c(Cl)c2)c1C#N
Show InChI InChI=1S/C24H26ClFN8/c25-19-12-17(2-3-20(19)26)21-14-34(11-10-32-6-1-7-32)23(31-21)16-4-8-33(9-5-16)24-18(13-27)22(28)29-15-30-24/h2-3,12,14-16H,1,4-11H2,(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 1n/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))
BDBM182400
PNG
(US9145392, 101)
Show SMILES CCc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN1CCC1)-c1cncc(Cl)c1
Show InChI InChI=1S/C24H31ClN8/c1-2-20-22(26)28-16-29-24(20)32-8-4-17(5-9-32)23-30-21(18-12-19(25)14-27-13-18)15-33(23)11-10-31-6-3-7-31/h12-17H,2-11H2,1H3,(H2,26,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 31n/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))
BDBM182606
PNG
(US9145392, 307)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCCC2)-c2ccc(F)c(Cl)c2)c1C#N
Show InChI InChI=1S/C25H28ClFN8/c26-20-13-18(3-4-21(20)27)22-15-35(12-11-33-7-1-2-8-33)24(32-22)17-5-9-34(10-6-17)25-19(14-28)23(29)30-16-31-25/h3-4,13,15-17H,1-2,5-12H2,(H2,29,30,31)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
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))
BDBM182621
PNG
(US9145392, 322)
Show SMILES Cc1ccc(cc1Cl)-c1cn(CCN2CCC2)c(n1)C1CCN(CC1)c1ncnc(N)c1C#N
Show InChI InChI=1S/C25H29ClN8/c1-17-3-4-19(13-21(17)26)22-15-34(12-11-32-7-2-8-32)24(31-22)18-5-9-33(10-6-18)25-20(14-27)23(28)29-16-30-25/h3-4,13,15-16,18H,2,5-12H2,1H3,(H2,28,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
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))
BDBM182374
PNG
(US9145392, 75)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCC2)-c2ccc(F)c(Cl)c2)c1C#N
Show InChI InChI=1S/C24H26ClFN8/c25-19-12-17(2-3-20(19)26)21-14-34(11-10-32-6-1-7-32)23(31-21)16-4-8-33(9-5-16)24-18(13-27)22(28)29-15-30-24/h2-3,12,14-16H,1,4-11H2,(H2,28,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.90n/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