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SMILES: CN(C)CCn1cc(nc1C1CCN(CC1)c1ncnc(N)c1C(N)=O)-c1ccc(F)c(c1)C(F)(F)F

InChI Key: InChIKey=GDBKJDBGCLFSGA-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 182337   
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
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM182337
PNG
(US9145392, 38)
Show SMILES CN(C)CCn1cc(nc1C1CCN(CC1)c1ncnc(N)c1C(N)=O)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H28F4N8O/c1-34(2)9-10-36-12-18(15-3-4-17(25)16(11-15)24(26,27)28)33-22(36)14-5-7-35(8-6-14)23-19(21(30)37)20(29)31-13-32-23/h3-4,11-14H,5-10H2,1-2H3,(H2,30,37)(H2,29,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 84n/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
1,3-beta-glucan synthase component GSC2


(Saccharomyces cerevisiae)
BDBM182337
PNG
(US9145392, 38)
Show SMILES CN(C)CCn1cc(nc1C1CCN(CC1)c1ncnc(N)c1C(N)=O)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H28F4N8O/c1-34(2)9-10-36-12-18(15-3-4-17(25)16(11-15)24(26,27)28)33-22(36)14-5-7-35(8-6-14)23-19(21(30)37)20(29)31-13-32-23/h3-4,11-14H,5-10H2,1-2H3,(H2,30,37)(H2,29,31,32)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 4.00E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha/RAC-beta/RAC-gamma serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM182337
PNG
(US9145392, 38)
Show SMILES CN(C)CCn1cc(nc1C1CCN(CC1)c1ncnc(N)c1C(N)=O)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H28F4N8O/c1-34(2)9-10-36-12-18(15-3-4-17(25)16(11-15)24(26,27)28)33-22(36)14-5-7-35(8-6-14)23-19(21(30)37)20(29)31-13-32-23/h3-4,11-14H,5-10H2,1-2H3,(H2,30,37)(H2,29,31,32)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 84n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase beta-1


(Homo sapiens (Human))
BDBM182337
PNG
(US9145392, 38)
Show SMILES CN(C)CCn1cc(nc1C1CCN(CC1)c1ncnc(N)c1C(N)=O)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H28F4N8O/c1-34(2)9-10-36-12-18(15-3-4-17(25)16(11-15)24(26,27)28)33-22(36)14-5-7-35(8-6-14)23-19(21(30)37)20(29)31-13-32-23/h3-4,11-14H,5-10H2,1-2H3,(H2,30,37)(H2,29,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.5n/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