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BDBM116506 US8637532, 187

SMILES: CNCC(Nc1ncnc2c(cccc12)C(N)=O)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=BYUUFRNHCFTPTI-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 116506   
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))
BDBM116506
PNG
(US8637532, 187)
Show SMILES CNCC(Nc1ncnc2c(cccc12)C(N)=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H17Cl2N5O/c1-22-8-15(10-5-6-13(19)14(20)7-10)25-18-12-4-2-3-11(17(21)26)16(12)23-9-24-18/h2-7,9,15,22H,8H2,1H3,(H2,21,26)(H,23,24,25)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 540n/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))
BDBM116506
PNG
(US8637532, 187)
Show SMILES CNCC(Nc1ncnc2c(cccc12)C(N)=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H17Cl2N5O/c1-22-8-15(10-5-6-13(19)14(20)7-10)25-18-12-4-2-3-11(17(21)26)16(12)23-9-24-18/h2-7,9,15,22H,8H2,1H3,(H2,21,26)(H,23,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.360n/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