BindingDB logo
myBDB logout

1 similar compounds to monomer 116555

Compile data set for download or QSAR
Wt: 492.3
BDBM116580

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 116580   
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))
BDBM116580
PNG
(US8637532, 272)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2=CCC(Br)C=C2)c1
Show InChI InChI=1S/C24H22BrN5O2/c1-14(29-23-20-7-3-6-19(22(26)31)21(20)27-13-28-23)16-4-2-5-18(12-16)30-24(32)15-8-10-17(25)11-9-15/h2-10,12-14,17H,11H2,1H3,(H2,26,31)(H,30,32)(H,27,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 6.60n/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))
BDBM116580
PNG
(US8637532, 272)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2=CCC(Br)C=C2)c1
Show InChI InChI=1S/C24H22BrN5O2/c1-14(29-23-20-7-3-6-19(22(26)31)21(20)27-13-28-23)16-4-2-5-18(12-16)30-24(32)15-8-10-17(25)11-9-15/h2-10,12-14,17H,11H2,1H3,(H2,26,31)(H,30,32)(H,27,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.660n/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))
BDBM116580
PNG
(US8637532, 272)
Show SMILES CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)C2=CCC(Br)C=C2)c1
Show InChI InChI=1S/C24H22BrN5O2/c1-14(29-23-20-7-3-6-19(22(26)31)21(20)27-13-28-23)16-4-2-5-18(12-16)30-24(32)15-8-10-17(25)11-9-15/h2-10,12-14,17H,11H2,1H3,(H2,26,31)(H,30,32)(H,27,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.260n/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