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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase SYK' and Ligand = 'BDBM212261'   
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))
BDBM212261
PNG
(US9290490, Example 18)
Show SMILES CC(O)([C@H]1CC[C@@H](CC1)C(O)=O)c1ncc(s1)-c1cc(Nc2nccc(n2)C(F)(F)F)cc(c1)C(F)F |r,wU:6.9,wD:3.2,(4.78,1.69,;3.3,1.29,;4.38,.2,;2.9,2.78,;3.99,3.87,;3.59,5.35,;2.1,5.75,;1.01,4.66,;1.41,3.18,;1.7,7.24,;2.79,8.33,;.21,7.64,;2.21,.2,;.67,.2,;.19,-1.26,;1.44,-2.17,;2.68,-1.26,;1.44,-3.71,;.1,-4.48,;.1,-6.02,;-1.23,-6.79,;-2.56,-6.02,;-3.9,-6.79,;-5.23,-6.02,;-5.23,-4.48,;-3.9,-3.65,;-2.56,-4.48,;-3.9,-2.11,;-3.9,-.57,;-2.36,-2.11,;-5.44,-2.11,;1.44,-6.79,;2.77,-6.02,;2.77,-4.48,;4.1,-6.79,;5.44,-6.02,;4.1,-8.33,)|
Show InChI InChI=1S/C24H23F5N4O3S/c1-23(36,15-4-2-12(3-5-15)20(34)35)21-31-11-17(37-21)13-8-14(19(25)26)10-16(9-13)32-22-30-7-6-18(33-22)24(27,28)29/h6-12,15,19,36H,2-5H2,1H3,(H,34,35)(H,30,32,33)/t12-,15-,23?
PDB
MMDB

NCI pathway
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KEGG

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PC cid
PC sid
UniChem
US Patent
n/an/a<0.5n/an/an/an/a7.525



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 US9290490 (2016)


BindingDB Entry DOI: 10.7270/Q2Z0370B
More data for this
Ligand-Target Pair