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BDBM50013167 CHEMBL3262618

SMILES: C[C@H](N)CNc1cc2nc[nH]c(=O)c2c(Nc2cccc3cc[nH]c23)n1

InChI Key: InChIKey=GVRXIDPSFXZQGC-JTQLQIEISA-N

Data: 6 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 6 hits for monomerid = 50013167   
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))
BDBM50013167
PNG
(CHEMBL3262618)
Show SMILES C[C@H](N)CNc1cc2nc[nH]c(=O)c2c(Nc2cccc3cc[nH]c23)n1 |r|
Show InChI InChI=1S/C18H19N7O/c1-10(19)8-21-14-7-13-15(18(26)23-9-22-13)17(25-14)24-12-4-2-3-11-5-6-20-16(11)12/h2-7,9-10,20H,8,19H2,1H3,(H2,21,24,25)(H,22,23,26)/t10-/m0/s1
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n/an/a 209n/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))
BDBM50013167
PNG
(CHEMBL3262618)
Show SMILES C[C@H](N)CNc1cc2nc[nH]c(=O)c2c(Nc2cccc3cc[nH]c23)n1 |r|
Show InChI InChI=1S/C18H19N7O/c1-10(19)8-21-14-7-13-15(18(26)23-9-22-13)17(25-14)24-12-4-2-3-11-5-6-20-16(11)12/h2-7,9-10,20H,8,19H2,1H3,(H2,21,24,25)(H,22,23,26)/t10-/m0/s1
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n/an/a 1.01E+3n/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 JAK2


(Homo sapiens (Human))
BDBM50013167
PNG
(CHEMBL3262618)
Show SMILES C[C@H](N)CNc1cc2nc[nH]c(=O)c2c(Nc2cccc3cc[nH]c23)n1 |r|
Show InChI InChI=1S/C18H19N7O/c1-10(19)8-21-14-7-13-15(18(26)23-9-22-13)17(25-14)24-12-4-2-3-11-5-6-20-16(11)12/h2-7,9-10,20H,8,19H2,1H3,(H2,21,24,25)(H,22,23,26)/t10-/m0/s1
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n/an/a 980n/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
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50013167
PNG
(CHEMBL3262618)
Show SMILES C[C@H](N)CNc1cc2nc[nH]c(=O)c2c(Nc2cccc3cc[nH]c23)n1 |r|
Show InChI InChI=1S/C18H19N7O/c1-10(19)8-21-14-7-13-15(18(26)23-9-22-13)17(25-14)24-12-4-2-3-11-5-6-20-16(11)12/h2-7,9-10,20H,8,19H2,1H3,(H2,21,24,25)(H,22,23,26)/t10-/m0/s1
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n/an/a 84n/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))
BDBM50013167
PNG
(CHEMBL3262618)
Show SMILES C[C@H](N)CNc1cc2nc[nH]c(=O)c2c(Nc2cccc3cc[nH]c23)n1 |r|
Show InChI InChI=1S/C18H19N7O/c1-10(19)8-21-14-7-13-15(18(26)23-9-22-13)17(25-14)24-12-4-2-3-11-5-6-20-16(11)12/h2-7,9-10,20H,8,19H2,1H3,(H2,21,24,25)(H,22,23,26)/t10-/m0/s1
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n/an/a 445n/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))
BDBM50013167
PNG
(CHEMBL3262618)
Show SMILES C[C@H](N)CNc1cc2nc[nH]c(=O)c2c(Nc2cccc3cc[nH]c23)n1 |r|
Show InChI InChI=1S/C18H19N7O/c1-10(19)8-21-14-7-13-15(18(26)23-9-22-13)17(25-14)24-12-4-2-3-11-5-6-20-16(11)12/h2-7,9-10,20H,8,19H2,1H3,(H2,21,24,25)(H,22,23,26)/t10-/m0/s1
PDB
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PC cid
PC sid
UniChem
Article
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n/an/a 21n/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