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SMILES: CC(C)c1nc(Nc2cc(N[C@@H]3CCOC[C@@H]3N)nnc2C(N)=O)ccc1F

InChI Key: InChIKey=BUVISXHSPQDMOD-NWDGAFQWSA-N

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50007186   
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
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50007186
PNG
(CHEMBL3237580)
Show SMILES CC(C)c1nc(Nc2cc(N[C@@H]3CCOC[C@@H]3N)nnc2C(N)=O)ccc1F |r|
Show InChI InChI=1S/C18H24FN7O2/c1-9(2)16-10(19)3-4-14(24-16)23-13-7-15(25-26-17(13)18(21)27)22-12-5-6-28-8-11(12)20/h3-4,7,9,11-12H,5-6,8,20H2,1-2H3,(H2,21,27)(H2,22,23,24,25)/t11-,12+/m0/s1
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Article
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n/an/a 3.20n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SYK (360 to 635) using biotin-EPEGDYEEVLE as substrate preincubated for 10 mins followed by substrate/ATP/[33Pgamma]ATP addition ...


J Med Chem 57: 2683-91 (2014)


Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50007186
PNG
(CHEMBL3237580)
Show SMILES CC(C)c1nc(Nc2cc(N[C@@H]3CCOC[C@@H]3N)nnc2C(N)=O)ccc1F |r|
Show InChI InChI=1S/C18H24FN7O2/c1-9(2)16-10(19)3-4-14(24-16)23-13-7-15(25-26-17(13)18(21)27)22-12-5-6-28-8-11(12)20/h3-4,7,9,11-12H,5-6,8,20H2,1-2H3,(H2,21,27)(H2,22,23,24,25)/t11-,12+/m0/s1
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PubMed
n/an/a 7.94E+3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp method


J Med Chem 57: 2683-91 (2014)


Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50007186
PNG
(CHEMBL3237580)
Show SMILES CC(C)c1nc(Nc2cc(N[C@@H]3CCOC[C@@H]3N)nnc2C(N)=O)ccc1F |r|
Show InChI InChI=1S/C18H24FN7O2/c1-9(2)16-10(19)3-4-14(24-16)23-13-7-15(25-26-17(13)18(21)27)22-12-5-6-28-8-11(12)20/h3-4,7,9,11-12H,5-6,8,20H2,1-2H3,(H2,21,27)(H2,22,23,24,25)/t11-,12+/m0/s1
PDB
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NCI pathway
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 501n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of SYK in human whole blood assessed as anti-human IgM-induced CD69 protein expression preincubated for 30 mins followed by anti-human IgM...


J Med Chem 57: 2683-91 (2014)


Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR
More data for this
Ligand-Target Pair