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1 similar compounds to monomer 116815

Compile data set for download or QSAR
Wt: 405.4
BDBM116822

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 116822   
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))
BDBM116822
PNG
(US8637532, 548)
Show SMILES NCc1cnc(Nc2cccc(CNc3ncnc4c(cccc34)C(N)=O)c2)s1
Show InChI InChI=1S/C20H19N7OS/c21-8-14-10-24-20(29-14)27-13-4-1-3-12(7-13)9-23-19-16-6-2-5-15(18(22)28)17(16)25-11-26-19/h1-7,10-11H,8-9,21H2,(H2,22,28)(H,24,27)(H,23,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.00E+3n/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 US8637532 (2014)


BindingDB Entry DOI: 10.7270/Q21G0JZX
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM116822
PNG
(US8637532, 548)
Show SMILES NCc1cnc(Nc2cccc(CNc3ncnc4c(cccc34)C(N)=O)c2)s1
Show InChI InChI=1S/C20H19N7OS/c21-8-14-10-24-20(29-14)27-13-4-1-3-12(7-13)9-23-19-16-6-2-5-15(18(22)28)17(16)25-11-26-19/h1-7,10-11H,8-9,21H2,(H2,22,28)(H,24,27)(H,23,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.740n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...


US Patent US8637532 (2014)


BindingDB Entry DOI: 10.7270/Q21G0JZX
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM116822
PNG
(US8637532, 548)
Show SMILES NCc1cnc(Nc2cccc(CNc3ncnc4c(cccc34)C(N)=O)c2)s1
Show InChI InChI=1S/C20H19N7OS/c21-8-14-10-24-20(29-14)27-13-4-1-3-12(7-13)9-23-19-16-6-2-5-15(18(22)28)17(16)25-11-26-19/h1-7,10-11H,8-9,21H2,(H2,22,28)(H,24,27)(H,23,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.220n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzym...


US Patent US8637532 (2014)


BindingDB Entry DOI: 10.7270/Q21G0JZX
More data for this
Ligand-Target Pair