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BDBM172927 US9096579, 29

SMILES: CC(C)n1cnc(c1)-c1ccnc(Nc2cc(Cl)c3[nH]c(cc3c2)C(=O)N2CCN(C)CC2)n1

InChI Key: InChIKey=RIRWJUZSPJFDQP-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 = 172927   
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))
BDBM172927
PNG
(US9096579, 29)
Show SMILES CC(C)n1cnc(c1)-c1ccnc(Nc2cc(Cl)c3[nH]c(cc3c2)C(=O)N2CCN(C)CC2)n1
Show InChI InChI=1S/C24H27ClN8O/c1-15(2)33-13-21(27-14-33)19-4-5-26-24(30-19)28-17-10-16-11-20(29-22(16)18(25)12-17)23(34)32-8-6-31(3)7-9-32/h4-5,10-15,29H,6-9H2,1-3H3,(H,26,28,30)
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 3.30n/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))
BDBM172927
PNG
(US9096579, 29)
Show SMILES CC(C)n1cnc(c1)-c1ccnc(Nc2cc(Cl)c3[nH]c(cc3c2)C(=O)N2CCN(C)CC2)n1
Show InChI InChI=1S/C24H27ClN8O/c1-15(2)33-13-21(27-14-33)19-4-5-26-24(30-19)28-17-10-16-11-20(29-22(16)18(25)12-17)23(34)32-8-6-31(3)7-9-32/h4-5,10-15,29H,6-9H2,1-3H3,(H,26,28,30)
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 0.900n/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