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BDBM182038 US9145391, 1

SMILES: Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1ccc(nc1)C(C)(O)C1CC[C@@H](CC1)C(O)=O

InChI Key: InChIKey=JSSQLEWCEKLYJB-CRXPCVAMSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 182038   
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))
BDBM182038
PNG
(US9145391, 1)
Show SMILES Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1ccc(nc1)C(C)(O)C1CC[C@@H](CC1)C(O)=O |r,wD:30.36,(2.03,-5.98,;.7,-5.21,;-.64,-5.98,;-1.97,-5.21,;-3.3,-5.98,;-3.3,-7.52,;-4.64,-8.29,;-4.64,-9.83,;-3.3,-10.6,;-1.97,-9.83,;-1.97,-8.29,;-5.97,-10.6,;-7.3,-11.37,;-6.74,-9.26,;-5.2,-11.93,;-1.97,-3.67,;-.64,-2.9,;.7,-3.67,;-.64,-1.36,;-1.97,-.59,;-1.97,.95,;-.64,1.72,;.7,.95,;.7,-.59,;-.64,3.26,;.9,3.26,;-2.18,3.26,;-.64,4.8,;-1.97,5.57,;-1.97,7.11,;-.64,7.88,;.7,7.11,;.7,5.57,;-.64,9.42,;.7,10.19,;-1.97,10.19,)|
Show InChI InChI=1S/C26H27F3N4O3/c1-15-11-20(32-23(12-15)33-22-13-19(9-10-30-22)26(27,28)29)17-5-8-21(31-14-17)25(2,36)18-6-3-16(4-7-18)24(34)35/h5,8-14,16,18,36H,3-4,6-7H2,1-2H3,(H,34,35)(H,30,32,33)/t16-,18?,25?
PDB
MMDB

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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