BindingDB logo
myBDB logout

BDBM116520 US8637532, 206

SMILES: CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccnc(c2)N2CCCCC2)c1

InChI Key: InChIKey=POQNJRCZSQACTE-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 = 116520   
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
Aurora kinase A


(Homo sapiens (human))
BDBM116520
PNG
(US8637532, 206)
Show SMILES CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccnc(c2)N2CCCCC2)c1
Show InChI InChI=1S/C30H34N8O2/c1-37(2)18-25(36-29-24-11-7-10-23(28(31)39)27(24)33-19-34-29)20-8-6-9-22(16-20)35-30(40)21-12-13-32-26(17-21)38-14-4-3-5-15-38/h6-13,16-17,19,25H,3-5,14-15,18H2,1-2H3,(H2,31,39)(H,35,40)(H,33,34,36)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 0.610n/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
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (human))
BDBM116520
PNG
(US8637532, 206)
Show SMILES CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccnc(c2)N2CCCCC2)c1
Show InChI InChI=1S/C30H34N8O2/c1-37(2)18-25(36-29-24-11-7-10-23(28(31)39)27(24)33-19-34-29)20-8-6-9-22(16-20)35-30(40)21-12-13-32-26(17-21)38-14-4-3-5-15-38/h6-13,16-17,19,25H,3-5,14-15,18H2,1-2H3,(H2,31,39)(H,35,40)(H,33,34,36)
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/an/an/a



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