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BDBM36471 DEL-A, 12::N2-(2-Methoxyphenethyl)-N4-methyl-N6-(quinolin-6-yl)-1,3,5-triazine-2,4,6-triamine

SMILES: CNc1nc(NCCc2ccccc2OC)nc(Nc2ccc3ncccc3c2)n1

InChI Key: InChIKey=NHMHDVJUUYELRQ-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 36471   
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))
BDBM36471
PNG
(DEL-A, 12 | N2-(2-Methoxyphenethyl)-N4-methyl-N6-(...)
Show SMILES CNc1nc(NCCc2ccccc2OC)nc(Nc2ccc3ncccc3c2)n1
Show InChI InChI=1S/C22H23N7O/c1-23-20-27-21(25-13-11-15-6-3-4-8-19(15)30-2)29-22(28-20)26-17-9-10-18-16(14-17)7-5-12-24-18/h3-10,12,14H,11,13H2,1-2H3,(H3,23,25,26,27,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 5.10E+3n/an/an/an/a9.516



Praecis Pharmaceuticals



Assay Description
Selection of DNA-encoded libraries (DELs) which are covalent attachment of encoding double stranded DNA to small-molecule created using a combination...


Nat Chem Biol 5: 647-54 (2009)


Article DOI: 10.1038/nchembio.211
BindingDB Entry DOI: 10.7270/Q2MP51NX
More data for this
Ligand-Target Pair