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BDBM172904 US9096579, 6

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

InChI Key: InChIKey=QMNKPHBCOVOXCW-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 172904   
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))
BDBM172904
PNG
(US9096579, 6)
Show SMILES CN(C)C(=O)c1cc2cc(Nc3nccc(n3)-c3cn(C)cn3)cc(Cl)c2[nH]1
Show InChI InChI=1S/C19H18ClN7O/c1-26(2)18(28)15-7-11-6-12(8-13(20)17(11)24-15)23-19-21-5-4-14(25-19)16-9-27(3)10-22-16/h4-10,24H,1-3H3,(H,21,23,25)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.5n/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))
BDBM172904
PNG
(US9096579, 6)
Show SMILES CN(C)C(=O)c1cc2cc(Nc3nccc(n3)-c3cn(C)cn3)cc(Cl)c2[nH]1
Show InChI InChI=1S/C19H18ClN7O/c1-26(2)18(28)15-7-11-6-12(8-13(20)17(11)24-15)23-19-21-5-4-14(25-19)16-9-27(3)10-22-16/h4-10,24H,1-3H3,(H,21,23,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.80n/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))
BDBM172904
PNG
(US9096579, 6)
Show SMILES CN(C)C(=O)c1cc2cc(Nc3nccc(n3)-c3cn(C)cn3)cc(Cl)c2[nH]1
Show InChI InChI=1S/C19H18ClN7O/c1-26(2)18(28)15-7-11-6-12(8-13(20)17(11)24-15)23-19-21-5-4-14(25-19)16-9-27(3)10-22-16/h4-10,24H,1-3H3,(H,21,23,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.80n/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