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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 = 'BDBM302018'   
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))
BDBM302018
PNG
(US9598405, 3.3 | US9598405, 3.7)
Show SMILES CC1(C)C[C@](O)(CC[C@@H]1C(O)=O)c1ncc(s1)-c1cccc(Nc2cc(ccn2)C(F)(F)F)n1
Show InChI InChI=1S/C23H23F3N4O3S/c1-21(2)12-22(33,8-6-14(21)19(31)32)20-28-11-16(34-20)15-4-3-5-17(29-15)30-18-10-13(7-9-27-18)23(24,25)26/h3-5,7,9-11,14,33H,6,8,12H2,1-2H3,(H,31,32)(H,27,29,30)/t14-,22-/m1/s1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0920n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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 US9598405 (2017)


BindingDB Entry DOI: 10.7270/Q2BR8V7T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM302018
PNG
(US9598405, 3.3 | US9598405, 3.7)
Show SMILES CC1(C)C[C@](O)(CC[C@@H]1C(O)=O)c1ncc(s1)-c1cccc(Nc2cc(ccn2)C(F)(F)F)n1
Show InChI InChI=1S/C23H23F3N4O3S/c1-21(2)12-22(33,8-6-14(21)19(31)32)20-28-11-16(34-20)15-4-3-5-17(29-15)30-18-10-13(7-9-27-18)23(24,25)26/h3-5,7,9-11,14,33H,6,8,12H2,1-2H3,(H,31,32)(H,27,29,30)/t14-,22-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.574n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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 US9598405 (2017)


BindingDB Entry DOI: 10.7270/Q2BR8V7T
More data for this
Ligand-Target Pair