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BDBM50123583 CHEMBL3622206

SMILES: [H][C@@]1(CNC(=O)C1)[C@@H](C)Oc1cc(cc2nscc12)-c1cnn(C)c1

InChI Key: InChIKey=KTRYUWPHTHSFQT-DWEIKOLQNA-N

Data: 4 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 4 hits for monomerid = 50123583   
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))
BDBM50123583
PNG
(CHEMBL3622206)
Show SMILES [H][C@@]1(CNC(=O)C1)[C@@H](C)Oc1cc(cc2nscc12)-c1cnn(C)c1 |r|
Show InChI InChI=1/C17H18N4O2S/c1-10(12-5-17(22)18-6-12)23-16-4-11(13-7-19-21(2)8-13)3-15-14(16)9-24-20-15/h3-4,7-10,12H,5-6H2,1-2H3,(H,18,22)/t10-,12-/s2
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n/an/a 46n/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


Bioorg Med Chem Lett 25: 4642-7 (2015)


BindingDB Entry DOI: 10.7270/Q2XD13HG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50123583
PNG
(CHEMBL3622206)
Show SMILES [H][C@@]1(CNC(=O)C1)[C@@H](C)Oc1cc(cc2nscc12)-c1cnn(C)c1 |r|
Show InChI InChI=1/C17H18N4O2S/c1-10(12-5-17(22)18-6-12)23-16-4-11(13-7-19-21(2)8-13)3-15-14(16)9-24-20-15/h3-4,7-10,12H,5-6H2,1-2H3,(H,18,22)/t10-,12-/s2
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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n/an/a 161n/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...


Bioorg Med Chem Lett 25: 4642-7 (2015)


BindingDB Entry DOI: 10.7270/Q2XD13HG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50123583
PNG
(CHEMBL3622206)
Show SMILES [H][C@@]1(CNC(=O)C1)[C@@H](C)Oc1cc(cc2nscc12)-c1cnn(C)c1 |r|
Show InChI InChI=1/C17H18N4O2S/c1-10(12-5-17(22)18-6-12)23-16-4-11(13-7-19-21(2)8-13)3-15-14(16)9-24-20-15/h3-4,7-10,12H,5-6H2,1-2H3,(H,18,22)/t10-,12-/s2
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
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PC cid
PC sid
UniChem
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n/an/a 298n/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 in presence of 90% human blood assessed as phospho-SLP76 level preincubated for 30 mi...


Bioorg Med Chem Lett 25: 4642-7 (2015)


BindingDB Entry DOI: 10.7270/Q2XD13HG
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50123583
PNG
(CHEMBL3622206)
Show SMILES [H][C@@]1(CNC(=O)C1)[C@@H](C)Oc1cc(cc2nscc12)-c1cnn(C)c1 |r|
Show InChI InChI=1/C17H18N4O2S/c1-10(12-5-17(22)18-6-12)23-16-4-11(13-7-19-21(2)8-13)3-15-14(16)9-24-20-15/h3-4,7-10,12H,5-6H2,1-2H3,(H,18,22)/t10-,12-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 576n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase (unknown origin) by enzymatic assay


Bioorg Med Chem Lett 25: 4642-7 (2015)


BindingDB Entry DOI: 10.7270/Q2XD13HG
More data for this
Ligand-Target Pair