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BDBM264260 6-(2,6-Dichlorophenyl)-8-(3-hydroxyprop-1-yn-1-yl)-2-((3-methyl-4-(piperazin-1-yl)phenyl)amino)pyrido[4,3-d]pyrimidin-5(6H)-one::US9714244, 14

SMILES: Cc1cc(Nc2ncc3c(n2)c(cn(-c2c(Cl)cccc2Cl)c3=O)C#CCO)ccc1N1CCNCC1

InChI Key: InChIKey=LGFRDPWFQMRGBK-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 264260   
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
Wee1-like protein kinase


(Homo sapiens (Human))
BDBM264260
PNG
(6-(2,6-Dichlorophenyl)-8-(3-hydroxyprop-1-yn-1-yl)...)
Show SMILES Cc1cc(Nc2ncc3c(n2)c(cn(-c2c(Cl)cccc2Cl)c3=O)C#CCO)ccc1N1CCNCC1 |(-4,4.62,;-4,3.08,;-2.67,2.31,;-2.67,.77,;-1.33,,;,.77,;,2.31,;1.33,3.08,;2.67,2.31,;2.67,.77,;1.33,,;4,,;5.33,.77,;5.33,2.31,;6.67,3.08,;6.67,4.62,;5.33,5.39,;8,5.39,;9.34,4.62,;9.34,3.08,;8,2.31,;8,.77,;4,3.08,;4,4.62,;4,-1.54,;4,-3.08,;4,-4.62,;2.67,-5.39,;-4,,;-5.33,.77,;-5.33,2.31,;-6.67,3.08,;-8,2.31,;-9.34,3.08,;-9.34,4.62,;-8,5.39,;-6.67,4.62,)|
Show InChI InChI=1S/C27H24Cl2N6O2/c1-17-14-19(7-8-23(17)34-11-9-30-10-12-34)32-27-31-15-20-24(33-27)18(4-3-13-36)16-35(26(20)37)25-21(28)5-2-6-22(25)29/h2,5-8,14-16,30,36H,9-13H2,1H3,(H,31,32,33)
PDB
MMDB

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US Patent
n/an/a<10n/an/an/an/an/a25



ALMAC DISCOVERY LIMITED

US Patent


Assay Description
In the measurement of Wee-1 activity, a commercial peptide Poly(Lys Tyr(4:1)) hydrobromide was purchased from Sigma Aldrich and used as the substrate...


US Patent US9714244 (2017)


BindingDB Entry DOI: 10.7270/Q2GH9KZ4
More data for this
Ligand-Target Pair