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BDBM182378 US9145392, 79

SMILES: NC(=O)c1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN1CCC1)-c1ccc(F)c(Cl)c1

InChI Key: InChIKey=SKBGXGJACXJIHW-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 = 182378   
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))
BDBM182378
PNG
(US9145392, 79)
Show SMILES NC(=O)c1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN1CCC1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C24H28ClFN8O/c25-17-12-16(2-3-18(17)26)19-13-34(11-10-32-6-1-7-32)23(31-19)15-4-8-33(9-5-15)24-20(22(28)35)21(27)29-14-30-24/h2-3,12-15H,1,4-11H2,(H2,28,35)(H2,27,29,30)
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 0.900n/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


(Homo sapiens (Human))
BDBM182378
PNG
(US9145392, 79)
Show SMILES NC(=O)c1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN1CCC1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C24H28ClFN8O/c25-17-12-16(2-3-18(17)26)19-13-34(11-10-32-6-1-7-32)23(31-19)15-4-8-33(9-5-15)24-20(22(28)35)21(27)29-14-30-24/h2-3,12-15H,1,4-11H2,(H2,28,35)(H2,27,29,30)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 7.5n/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