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SMILES: Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1ccc(nc1)C1(O)CCC(C(O)=O)C(C)(C)C1

InChI Key: InChIKey=DOFZIDJXDJPJQD-UHFFFAOYSA-N

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 = 182055   
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))
BDBM182055
PNG
(US9145391, 1-23 | US9145391, 1-24 | US9145391, 1-2...)
Show SMILES Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1ccc(nc1)C1(O)CCC(C(O)=O)C(C)(C)C1
Show InChI InChI=1S/C26H27F3N4O3/c1-15-10-19(32-22(11-15)33-21-12-17(7-9-30-21)26(27,28)29)16-4-5-20(31-13-16)25(36)8-6-18(23(34)35)24(2,3)14-25/h4-5,7,9-13,18,36H,6,8,14H2,1-3H3,(H,34,35)(H,30,32,33)
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US Patent
n/an/a 29n/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))
BDBM182055
PNG
(US9145391, 1-23 | US9145391, 1-24 | US9145391, 1-2...)
Show SMILES Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1ccc(nc1)C1(O)CCC(C(O)=O)C(C)(C)C1
Show InChI InChI=1S/C26H27F3N4O3/c1-15-10-19(32-22(11-15)33-21-12-17(7-9-30-21)26(27,28)29)16-4-5-20(31-13-16)25(36)8-6-18(23(34)35)24(2,3)14-25/h4-5,7,9-13,18,36H,6,8,14H2,1-3H3,(H,34,35)(H,30,32,33)
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UniChem

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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
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM182055
PNG
(US9145391, 1-23 | US9145391, 1-24 | US9145391, 1-2...)
Show SMILES Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1ccc(nc1)C1(O)CCC(C(O)=O)C(C)(C)C1
Show InChI InChI=1S/C26H27F3N4O3/c1-15-10-19(32-22(11-15)33-21-12-17(7-9-30-21)26(27,28)29)16-4-5-20(31-13-16)25(36)8-6-18(23(34)35)24(2,3)14-25/h4-5,7,9-13,18,36H,6,8,14H2,1-3H3,(H,34,35)(H,30,32,33)
PDB
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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
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM182055
PNG
(US9145391, 1-23 | US9145391, 1-24 | US9145391, 1-2...)
Show SMILES Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1ccc(nc1)C1(O)CCC(C(O)=O)C(C)(C)C1
Show InChI InChI=1S/C26H27F3N4O3/c1-15-10-19(32-22(11-15)33-21-12-17(7-9-30-21)26(27,28)29)16-4-5-20(31-13-16)25(36)8-6-18(23(34)35)24(2,3)14-25/h4-5,7,9-13,18,36H,6,8,14H2,1-3H3,(H,34,35)(H,30,32,33)
PDB
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KEGG

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B.MOAD
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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 8n/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