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BDBM173008 US9096579, 110

SMILES: CCn1ccc(CNC(=O)c2cc3cc(Nc4nccc(n4)-c4cn(C)cn4)cc(C)c3[nH]2)n1

InChI Key: InChIKey=WHYBRKFPDIOQPQ-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 173008   
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))
BDBM173008
PNG
(US9096579, 110)
Show SMILES CCn1ccc(CNC(=O)c2cc3cc(Nc4nccc(n4)-c4cn(C)cn4)cc(C)c3[nH]2)n1
Show InChI InChI=1S/C24H25N9O/c1-4-33-8-6-17(31-33)12-26-23(34)20-11-16-10-18(9-15(2)22(16)29-20)28-24-25-7-5-19(30-24)21-13-32(3)14-27-21/h5-11,13-14,29H,4,12H2,1-3H3,(H,26,34)(H,25,28,30)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.600n/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))
BDBM173008
PNG
(US9096579, 110)
Show SMILES CCn1ccc(CNC(=O)c2cc3cc(Nc4nccc(n4)-c4cn(C)cn4)cc(C)c3[nH]2)n1
Show InChI InChI=1S/C24H25N9O/c1-4-33-8-6-17(31-33)12-26-23(34)20-11-16-10-18(9-15(2)22(16)29-20)28-24-25-7-5-19(30-24)21-13-32(3)14-27-21/h5-11,13-14,29H,4,12H2,1-3H3,(H,26,34)(H,25,28,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.70n/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