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SMILES: CCNc1nc(Nc2ccc3n(nc(C#N)c3c2)C2CCN(C[C@@H](C)O)CC2)nn2c(cnc12)C#N

InChI Key: InChIKey=YAJPADUCIGBWGI-OAHLLOKOSA-N

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   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 = 142832   
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
Casein kinase II subunit alpha'


(Homo sapiens (Human))
BDBM142832
PNG
(US8940736, 395)
Show SMILES CCNc1nc(Nc2ccc3n(nc(C#N)c3c2)C2CCN(C[C@@H](C)O)CC2)nn2c(cnc12)C#N |r|
Show InChI InChI=1S/C24H27N11O/c1-3-27-22-23-28-13-18(11-25)35(23)32-24(30-22)29-16-4-5-21-19(10-16)20(12-26)31-34(21)17-6-8-33(9-7-17)14-15(2)36/h4-5,10,13,15,17,36H,3,6-9,14H2,1-2H3,(H2,27,29,30,32)/t15-/m1/s1
PDB
MMDB

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DrugBank
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.210n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)


BindingDB Entry DOI: 10.7270/Q2QV3K72
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM142832
PNG
(US8940736, 395)
Show SMILES CCNc1nc(Nc2ccc3n(nc(C#N)c3c2)C2CCN(C[C@@H](C)O)CC2)nn2c(cnc12)C#N |r|
Show InChI InChI=1S/C24H27N11O/c1-3-27-22-23-28-13-18(11-25)35(23)32-24(30-22)29-16-4-5-21-19(10-16)20(12-26)31-34(21)17-6-8-33(9-7-17)14-15(2)36/h4-5,10,13,15,17,36H,3,6-9,14H2,1-2H3,(H2,27,29,30,32)/t15-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.220n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)


BindingDB Entry DOI: 10.7270/Q2QV3K72
More data for this
Ligand-Target Pair