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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase SYK' and Ligand = 'BDBM172901'   
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))
BDBM172901
PNG
(US9096579, 3)
Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Nc3nccc(n3)-c3cn(C)cn3)cc(Cl)c2[nH]1
Show InChI InChI=1S/C22H23ClN8O/c1-29-5-7-31(8-6-29)21(32)18-10-14-9-15(11-16(23)20(14)27-18)26-22-24-4-3-17(28-22)19-12-30(2)13-25-19/h3-4,9-13,27H,5-8H2,1-2H3,(H,24,26,28)
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US Patent
n/an/a 1.60n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...


US Patent US9096579 (2015)


BindingDB Entry DOI: 10.7270/Q2F76B9H
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM172901
PNG
(US9096579, 3)
Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Nc3nccc(n3)-c3cn(C)cn3)cc(Cl)c2[nH]1
Show InChI InChI=1S/C22H23ClN8O/c1-29-5-7-31(8-6-29)21(32)18-10-14-9-15(11-16(23)20(14)27-18)26-22-24-4-3-17(28-22)19-12-30(2)13-25-19/h3-4,9-13,27H,5-8H2,1-2H3,(H,24,26,28)
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UniChem

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US Patent
n/an/a 1.90n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...


US Patent US9096579 (2015)


BindingDB Entry DOI: 10.7270/Q2F76B9H
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM172901
PNG
(US9096579, 3)
Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Nc3nccc(n3)-c3cn(C)cn3)cc(Cl)c2[nH]1
Show InChI InChI=1S/C22H23ClN8O/c1-29-5-7-31(8-6-29)21(32)18-10-14-9-15(11-16(23)20(14)27-18)26-22-24-4-3-17(28-22)19-12-30(2)13-25-19/h3-4,9-13,27H,5-8H2,1-2H3,(H,24,26,28)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 11.4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...


US Patent US9096579 (2015)


BindingDB Entry DOI: 10.7270/Q2F76B9H
More data for this
Ligand-Target Pair