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BDBM182504 US9145392, 205

SMILES: Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCC2)-c2cnc(F)c(Cl)c2)c1C#N

InChI Key: InChIKey=DLFSJMCJAANTKH-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 182504   
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))
BDBM182504
PNG
(US9145392, 205)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCC2)-c2cnc(F)c(Cl)c2)c1C#N
Show InChI InChI=1S/C23H25ClFN9/c24-18-10-16(12-28-20(18)25)19-13-34(9-8-32-4-1-5-32)22(31-19)15-2-6-33(7-3-15)23-17(11-26)21(27)29-14-30-23/h10,12-15H,1-9H2,(H2,27,29,30)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 1.30n/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))
BDBM182504
PNG
(US9145392, 205)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCC2)-c2cnc(F)c(Cl)c2)c1C#N
Show InChI InChI=1S/C23H25ClFN9/c24-18-10-16(12-28-20(18)25)19-13-34(9-8-32-4-1-5-32)22(31-19)15-2-6-33(7-3-15)23-17(11-26)21(27)29-14-30-23/h10,12-15H,1-9H2,(H2,27,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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