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SMILES: Cc1cn2c(cnc2c(Nc2ccc(cc2F)C(=O)N2CCNC(C)(C)C2)n1)-c1cn[nH]c1

InChI Key: InChIKey=LDQVLKOHPKFODX-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50354426   
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
Protein-tyrosine kinase 6


(Homo sapiens (Human))
BDBM50354426
PNG
(CHEMBL1836864)
Show SMILES Cc1cn2c(cnc2c(Nc2ccc(cc2F)C(=O)N2CCNC(C)(C)C2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C23H25FN8O/c1-14-12-32-19(16-9-27-28-10-16)11-25-21(32)20(29-14)30-18-5-4-15(8-17(18)24)22(33)31-7-6-26-23(2,3)13-31/h4-5,8-12,26H,6-7,13H2,1-3H3,(H,27,28)(H,29,30)
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PubMed
n/an/a 10n/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))
BDBM50354426
PNG
(CHEMBL1836864)
Show SMILES Cc1cn2c(cnc2c(Nc2ccc(cc2F)C(=O)N2CCNC(C)(C)C2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C23H25FN8O/c1-14-12-32-19(16-9-27-28-10-16)11-25-21(32)20(29-14)30-18-5-4-15(8-17(18)24)22(33)31-7-6-26-23(2,3)13-31/h4-5,8-12,26H,6-7,13H2,1-3H3,(H,27,28)(H,29,30)
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Article
PubMed
n/an/a 38n/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))
BDBM50354426
PNG
(CHEMBL1836864)
Show SMILES Cc1cn2c(cnc2c(Nc2ccc(cc2F)C(=O)N2CCNC(C)(C)C2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C23H25FN8O/c1-14-12-32-19(16-9-27-28-10-16)11-25-21(32)20(29-14)30-18-5-4-15(8-17(18)24)22(33)31-7-6-26-23(2,3)13-31/h4-5,8-12,26H,6-7,13H2,1-3H3,(H,27,28)(H,29,30)
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PubMed
n/an/a>2.00E+4n/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))
BDBM50354426
PNG
(CHEMBL1836864)
Show SMILES Cc1cn2c(cnc2c(Nc2ccc(cc2F)C(=O)N2CCNC(C)(C)C2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C23H25FN8O/c1-14-12-32-19(16-9-27-28-10-16)11-25-21(32)20(29-14)30-18-5-4-15(8-17(18)24)22(33)31-7-6-26-23(2,3)13-31/h4-5,8-12,26H,6-7,13H2,1-3H3,(H,27,28)(H,29,30)
PDB

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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>2.00E+4n/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