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BDBM50013172 CHEMBL3262624

SMILES: N[C@H]1COCC[C@H]1Nc1cc2cc[nH]c(=O)c2c(Nc2cccc3cc[nH]c23)n1

InChI Key: InChIKey=VPFQXVNSENBLHV-LSDHHAIUSA-N

Data: 12 IC50

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 12 hits for monomerid = 50013172   
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))
BDBM50013172
PNG
(CHEMBL3262624)
Show SMILES N[C@H]1COCC[C@H]1Nc1cc2cc[nH]c(=O)c2c(Nc2cccc3cc[nH]c23)n1 |r|
Show InChI InChI=1S/C21H22N6O2/c22-14-11-29-9-6-15(14)25-17-10-13-5-8-24-21(28)18(13)20(27-17)26-16-3-1-2-12-4-7-23-19(12)16/h1-5,7-8,10,14-15,23H,6,9,11,22H2,(H,24,28)(H2,25,26,27)/t14-,15+/m0/s1
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n/an/a 55n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Syk in anti IgM-stimulated human Ramos cells assessed as BLNK phosphorylation by cellular assay


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50013172
PNG
(CHEMBL3262624)
Show SMILES N[C@H]1COCC[C@H]1Nc1cc2cc[nH]c(=O)c2c(Nc2cccc3cc[nH]c23)n1 |r|
Show InChI InChI=1S/C21H22N6O2/c22-14-11-29-9-6-15(14)25-17-10-13-5-8-24-21(28)18(13)20(27-17)26-16-3-1-2-12-4-7-23-19(12)16/h1-5,7-8,10,14-15,23H,6,9,11,22H2,(H,24,28)(H2,25,26,27)/t14-,15+/m0/s1
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n/an/a 433n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Syk in human whole blood assessed as inhibition of P-SLP76 in CD14+ monocytes by flow cytometry


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50013172
PNG
(CHEMBL3262624)
Show SMILES N[C@H]1COCC[C@H]1Nc1cc2cc[nH]c(=O)c2c(Nc2cccc3cc[nH]c23)n1 |r|
Show InChI InChI=1S/C21H22N6O2/c22-14-11-29-9-6-15(14)25-17-10-13-5-8-24-21(28)18(13)20(27-17)26-16-3-1-2-12-4-7-23-19(12)16/h1-5,7-8,10,14-15,23H,6,9,11,22H2,(H,24,28)(H2,25,26,27)/t14-,15+/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Syk (unknown origin) using 4 uM peptide assessed as product formation after 60 mins incubation by microfluidic mobility shift assay


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50013172
PNG
(CHEMBL3262624)
Show SMILES N[C@H]1COCC[C@H]1Nc1cc2cc[nH]c(=O)c2c(Nc2cccc3cc[nH]c23)n1 |r|
Show InChI InChI=1S/C21H22N6O2/c22-14-11-29-9-6-15(14)25-17-10-13-5-8-24-21(28)18(13)20(27-17)26-16-3-1-2-12-4-7-23-19(12)16/h1-5,7-8,10,14-15,23H,6,9,11,22H2,(H,24,28)(H2,25,26,27)/t14-,15+/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Lyn (unknown origin)


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50013172
PNG
(CHEMBL3262624)
Show SMILES N[C@H]1COCC[C@H]1Nc1cc2cc[nH]c(=O)c2c(Nc2cccc3cc[nH]c23)n1 |r|
Show InChI InChI=1S/C21H22N6O2/c22-14-11-29-9-6-15(14)25-17-10-13-5-8-24-21(28)18(13)20(27-17)26-16-3-1-2-12-4-7-23-19(12)16/h1-5,7-8,10,14-15,23H,6,9,11,22H2,(H,24,28)(H2,25,26,27)/t14-,15+/m0/s1
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n/an/a 340n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of ZAP70 (unknown origin)


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50013172
PNG
(CHEMBL3262624)
Show SMILES N[C@H]1COCC[C@H]1Nc1cc2cc[nH]c(=O)c2c(Nc2cccc3cc[nH]c23)n1 |r|
Show InChI InChI=1S/C21H22N6O2/c22-14-11-29-9-6-15(14)25-17-10-13-5-8-24-21(28)18(13)20(27-17)26-16-3-1-2-12-4-7-23-19(12)16/h1-5,7-8,10,14-15,23H,6,9,11,22H2,(H,24,28)(H2,25,26,27)/t14-,15+/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Syk (unknown origin) using 5-Fluo-Ahx-GAPDYENLQELNKK-Amide as substrate after 60 mins by microfluidic mobility shift assay


J Med Chem 58: 1950-63 (2015)


Article DOI: 10.1021/jm5018863
BindingDB Entry DOI: 10.7270/Q2G44S0C
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50013172
PNG
(CHEMBL3262624)
Show SMILES N[C@H]1COCC[C@H]1Nc1cc2cc[nH]c(=O)c2c(Nc2cccc3cc[nH]c23)n1 |r|
Show InChI InChI=1S/C21H22N6O2/c22-14-11-29-9-6-15(14)25-17-10-13-5-8-24-21(28)18(13)20(27-17)26-16-3-1-2-12-4-7-23-19(12)16/h1-5,7-8,10,14-15,23H,6,9,11,22H2,(H,24,28)(H2,25,26,27)/t14-,15+/m0/s1
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n/an/a 2.49E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human ERG by Q-patch assay


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50013172
PNG
(CHEMBL3262624)
Show SMILES N[C@H]1COCC[C@H]1Nc1cc2cc[nH]c(=O)c2c(Nc2cccc3cc[nH]c23)n1 |r|
Show InChI InChI=1S/C21H22N6O2/c22-14-11-29-9-6-15(14)25-17-10-13-5-8-24-21(28)18(13)20(27-17)26-16-3-1-2-12-4-7-23-19(12)16/h1-5,7-8,10,14-15,23H,6,9,11,22H2,(H,24,28)(H2,25,26,27)/t14-,15+/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Flt3 (unknown origin)


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50013172
PNG
(CHEMBL3262624)
Show SMILES N[C@H]1COCC[C@H]1Nc1cc2cc[nH]c(=O)c2c(Nc2cccc3cc[nH]c23)n1 |r|
Show InChI InChI=1S/C21H22N6O2/c22-14-11-29-9-6-15(14)25-17-10-13-5-8-24-21(28)18(13)20(27-17)26-16-3-1-2-12-4-7-23-19(12)16/h1-5,7-8,10,14-15,23H,6,9,11,22H2,(H,24,28)(H2,25,26,27)/t14-,15+/m0/s1
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n/an/a 2.49E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by automated Qpatch clamp assay


J Med Chem 58: 1950-63 (2015)


Article DOI: 10.1021/jm5018863
BindingDB Entry DOI: 10.7270/Q2G44S0C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50013172
PNG
(CHEMBL3262624)
Show SMILES N[C@H]1COCC[C@H]1Nc1cc2cc[nH]c(=O)c2c(Nc2cccc3cc[nH]c23)n1 |r|
Show InChI InChI=1S/C21H22N6O2/c22-14-11-29-9-6-15(14)25-17-10-13-5-8-24-21(28)18(13)20(27-17)26-16-3-1-2-12-4-7-23-19(12)16/h1-5,7-8,10,14-15,23H,6,9,11,22H2,(H,24,28)(H2,25,26,27)/t14-,15+/m0/s1
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n/an/a 433n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Syk in anti-CD32 stimulated CD14+ human monocytes assessed as phospho-SLP76 level preincubated for 30 mins followed by anti-CD32 stimul...


J Med Chem 58: 1950-63 (2015)


Article DOI: 10.1021/jm5018863
BindingDB Entry DOI: 10.7270/Q2G44S0C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50013172
PNG
(CHEMBL3262624)
Show SMILES N[C@H]1COCC[C@H]1Nc1cc2cc[nH]c(=O)c2c(Nc2cccc3cc[nH]c23)n1 |r|
Show InChI InChI=1S/C21H22N6O2/c22-14-11-29-9-6-15(14)25-17-10-13-5-8-24-21(28)18(13)20(27-17)26-16-3-1-2-12-4-7-23-19(12)16/h1-5,7-8,10,14-15,23H,6,9,11,22H2,(H,24,28)(H2,25,26,27)/t14-,15+/m0/s1
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n/an/a 55n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Syk in anti-igM stimulated human Ramos B cells assessed as phospho-BLNK level preincubated for 30 mins followed by anti-IgM stimulation...


J Med Chem 58: 1950-63 (2015)


Article DOI: 10.1021/jm5018863
BindingDB Entry DOI: 10.7270/Q2G44S0C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50013172
PNG
(CHEMBL3262624)
Show SMILES N[C@H]1COCC[C@H]1Nc1cc2cc[nH]c(=O)c2c(Nc2cccc3cc[nH]c23)n1 |r|
Show InChI InChI=1S/C21H22N6O2/c22-14-11-29-9-6-15(14)25-17-10-13-5-8-24-21(28)18(13)20(27-17)26-16-3-1-2-12-4-7-23-19(12)16/h1-5,7-8,10,14-15,23H,6,9,11,22H2,(H,24,28)(H2,25,26,27)/t14-,15+/m0/s1
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n/an/a 680n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 24: 2278-82 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.075
BindingDB Entry DOI: 10.7270/Q2PN976C
More data for this
Ligand-Target Pair