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BDBM116511 US8637532, 194

SMILES: CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(cc2)C(F)(F)F)c1

InChI Key: InChIKey=RXAZPQCDGXHCAO-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 = 116511   
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))
BDBM116511
PNG
(US8637532, 194)
Show SMILES CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C27H25F3N6O2/c1-36(2)14-22(35-25-21-8-4-7-20(24(31)37)23(21)32-15-33-25)17-5-3-6-19(13-17)34-26(38)16-9-11-18(12-10-16)27(28,29)30/h3-13,15,22H,14H2,1-2H3,(H2,31,37)(H,34,38)(H,32,33,35)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (human))
BDBM116511
PNG
(US8637532, 194)
Show SMILES CN(C)CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C27H25F3N6O2/c1-36(2)14-22(35-25-21-8-4-7-20(24(31)37)23(21)32-15-33-25)17-5-3-6-19(13-17)34-26(38)16-9-11-18(12-10-16)27(28,29)30/h3-13,15,22H,14H2,1-2H3,(H2,31,37)(H,34,38)(H,32,33,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 0.550n/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