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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase SYK' and Ligand = 'BDBM182098'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM182098
PNG
(US9145391, 3-2 | US9145391, 3-3)
Show SMILES CC1CC(CCC1C(O)=O)Nc1ccc(cn1)-c1cc(C)cc(Nc2cc(ccn2)C(F)(F)F)n1
Show InChI InChI=1S/C25H26F3N5O2/c1-14-9-20(32-23(10-14)33-22-12-17(7-8-29-22)25(26,27)28)16-3-6-21(30-13-16)31-18-4-5-19(24(34)35)15(2)11-18/h3,6-10,12-13,15,18-19H,4-5,11H2,1-2H3,(H,30,31)(H,34,35)(H,29,32,33)
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MMDB

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PC cid
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Similars

US Patent
n/an/a<0.5n/an/an/an/a7.525



Merck Sharp & Dohme Corp.; Merck Canada Inc.

US Patent


Assay Description
A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Carna Bi...


US Patent US9145391 (2015)


BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM182098
PNG
(US9145391, 3-2 | US9145391, 3-3)
Show SMILES CC1CC(CCC1C(O)=O)Nc1ccc(cn1)-c1cc(C)cc(Nc2cc(ccn2)C(F)(F)F)n1
Show InChI InChI=1S/C25H26F3N5O2/c1-14-9-20(32-23(10-14)33-22-12-17(7-8-29-22)25(26,27)28)16-3-6-21(30-13-16)31-18-4-5-19(24(34)35)15(2)11-18/h3,6-10,12-13,15,18-19H,4-5,11H2,1-2H3,(H,30,31)(H,34,35)(H,29,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1n/an/an/an/a7.525



Merck Sharp & Dohme Corp.; Merck Canada Inc.

US Patent


Assay Description
A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Carna Bi...


US Patent US9145391 (2015)


BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
More data for this
Ligand-Target Pair