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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for monomerid = 50354457   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein-tyrosine kinase 6


(Homo sapiens (Human))
BDBM50354457
PNG
(CHEMBL1836841)
Show SMILES Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3C[C@@H]4CC[C@H](C3)N4)c(Cl)c2)n1)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C23H23ClN8O/c1-13-10-32-20(14-7-26-27-8-14)9-25-22(32)21(28-13)30-15-4-5-18(19(24)6-15)23(33)31-11-16-2-3-17(12-31)29-16/h4-10,16-17,29H,2-3,11-12H2,1H3,(H,26,27)(H,28,30)/t16-,17+
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n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader


Bioorg Med Chem Lett 21: 5870-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.101
BindingDB Entry DOI: 10.7270/Q2PR7WCR
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 6


(Homo sapiens (Human))
BDBM50354457
PNG
(CHEMBL1836841)
Show SMILES Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3C[C@@H]4CC[C@H](C3)N4)c(Cl)c2)n1)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C23H23ClN8O/c1-13-10-32-20(14-7-26-27-8-14)9-25-22(32)21(28-13)30-15-4-5-18(19(24)6-15)23(33)31-11-16-2-3-17(12-31)29-16/h4-10,16-17,29H,2-3,11-12H2,1H3,(H,26,27)(H,28,30)/t16-,17+
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n/an/a 177n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of phosphorylated SAM68 in 293 WT-PTK6 cells after 3 hrs


Bioorg Med Chem Lett 21: 5870-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.101
BindingDB Entry DOI: 10.7270/Q2PR7WCR
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50354457
PNG
(CHEMBL1836841)
Show SMILES Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3C[C@@H]4CC[C@H](C3)N4)c(Cl)c2)n1)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C23H23ClN8O/c1-13-10-32-20(14-7-26-27-8-14)9-25-22(32)21(28-13)30-15-4-5-18(19(24)6-15)23(33)31-11-16-2-3-17(12-31)29-16/h4-10,16-17,29H,2-3,11-12H2,1H3,(H,26,27)(H,28,30)/t16-,17+
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n/an/a 242n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of AurB


Bioorg Med Chem Lett 21: 5870-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.101
BindingDB Entry DOI: 10.7270/Q2PR7WCR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50354457
PNG
(CHEMBL1836841)
Show SMILES Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3C[C@@H]4CC[C@H](C3)N4)c(Cl)c2)n1)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C23H23ClN8O/c1-13-10-32-20(14-7-26-27-8-14)9-25-22(32)21(28-13)30-15-4-5-18(19(24)6-15)23(33)31-11-16-2-3-17(12-31)29-16/h4-10,16-17,29H,2-3,11-12H2,1H3,(H,26,27)(H,28,30)/t16-,17+
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n/an/a 3.21E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LCK


Bioorg Med Chem Lett 21: 5870-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.101
BindingDB Entry DOI: 10.7270/Q2PR7WCR
More data for this
Ligand-Target Pair