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BDBM182409 US9145392, 110

SMILES: Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCC2)-c2ccc(F)c(c2)C(F)(F)F)c1-c1cc[nH]c1

InChI Key: InChIKey=CEOCDNNZGIOOGD-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 182409   
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))
BDBM182409
PNG
(US9145392, 110)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCC2)-c2ccc(F)c(c2)C(F)(F)F)c1-c1cc[nH]c1
Show InChI InChI=1S/C28H30F4N8/c29-22-3-2-19(14-21(22)28(30,31)32)23-16-40(13-12-38-8-1-9-38)26(37-23)18-5-10-39(11-6-18)27-24(20-4-7-34-15-20)25(33)35-17-36-27/h2-4,7,14-18,34H,1,5-6,8-13H2,(H2,33,35,36)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (human))
BDBM182409
PNG
(US9145392, 110)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCC2)-c2ccc(F)c(c2)C(F)(F)F)c1-c1cc[nH]c1
Show InChI InChI=1S/C28H30F4N8/c29-22-3-2-19(14-21(22)28(30,31)32)23-16-40(13-12-38-8-1-9-38)26(37-23)18-5-10-39(11-6-18)27-24(20-4-7-34-15-20)25(33)35-17-36-27/h2-4,7,14-18,34H,1,5-6,8-13H2,(H2,33,35,36)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 0.700n/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