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SMILES: COC(=O)c1cc2cc(Nc3nccc(n3)-c3cn(C)cn3)cc(Cl)c2[nH]1

InChI Key: InChIKey=NAYCPOVQYKXRMT-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 172997   
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))
BDBM172997
PNG
(US9096579, 99)
Show SMILES COC(=O)c1cc2cc(Nc3nccc(n3)-c3cn(C)cn3)cc(Cl)c2[nH]1
Show InChI InChI=1S/C18H15ClN6O2/c1-25-8-15(21-9-25)13-3-4-20-18(24-13)22-11-5-10-6-14(17(26)27-2)23-16(10)12(19)7-11/h3-9,23H,1-2H3,(H,20,22,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 15.7n/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))
BDBM172997
PNG
(US9096579, 99)
Show SMILES COC(=O)c1cc2cc(Nc3nccc(n3)-c3cn(C)cn3)cc(Cl)c2[nH]1
Show InChI InChI=1S/C18H15ClN6O2/c1-25-8-15(21-9-25)13-3-4-20-18(24-13)22-11-5-10-6-14(17(26)27-2)23-16(10)12(19)7-11/h3-9,23H,1-2H3,(H,20,22,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 4.70n/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