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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for monomerid = 50354408   
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))
BDBM50354408
PNG
(CHEMBL1836867)
Show SMILES Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3CCNCC3)c(Cl)c2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C21H21ClN8O/c1-13-12-30-18(14-9-25-26-10-14)11-24-20(30)19(27-13)28-15-2-3-16(17(22)8-15)21(31)29-6-4-23-5-7-29/h2-3,8-12,23H,4-7H2,1H3,(H,25,26)(H,27,28)
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PubMed
n/an/a 7n/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))
BDBM50354408
PNG
(CHEMBL1836867)
Show SMILES Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3CCNCC3)c(Cl)c2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C21H21ClN8O/c1-13-12-30-18(14-9-25-26-10-14)11-24-20(30)19(27-13)28-15-2-3-16(17(22)8-15)21(31)29-6-4-23-5-7-29/h2-3,8-12,23H,4-7H2,1H3,(H,25,26)(H,27,28)
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PubMed
n/an/a 157n/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
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50354408
PNG
(CHEMBL1836867)
Show SMILES Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3CCNCC3)c(Cl)c2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C21H21ClN8O/c1-13-12-30-18(14-9-25-26-10-14)11-24-20(30)19(27-13)28-15-2-3-16(17(22)8-15)21(31)29-6-4-23-5-7-29/h2-3,8-12,23H,4-7H2,1H3,(H,25,26)(H,27,28)
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antibodypedia
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PC sid
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Article
PubMed
n/an/a 420n/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
Aurora kinase B


(Homo sapiens (Human))
BDBM50354408
PNG
(CHEMBL1836867)
Show SMILES Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3CCNCC3)c(Cl)c2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C21H21ClN8O/c1-13-12-30-18(14-9-25-26-10-14)11-24-20(30)19(27-13)28-15-2-3-16(17(22)8-15)21(31)29-6-4-23-5-7-29/h2-3,8-12,23H,4-7H2,1H3,(H,25,26)(H,27,28)
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UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 754n/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