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SMILES: CCn1cc(C(=O)C2CC2)c2cc(Nc3ncc(F)c(n3)-n3cc(CN4C[C@H](O)CO4)c(C)n3)ccc12

InChI Key: InChIKey=KCQSZKBRMVTRRJ-IBGZPJMESA-N

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 = 196791   
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))
BDBM196791
PNG
(US9212178, 20 | US9212178, 21)
Show SMILES CCn1cc(C(=O)C2CC2)c2cc(Nc3ncc(F)c(n3)-n3cc(CN4C[C@H](O)CO4)c(C)n3)ccc12 |r|
Show InChI InChI=1S/C26H28FN7O3/c1-3-32-13-21(24(36)16-4-5-16)20-8-18(6-7-23(20)32)29-26-28-9-22(27)25(30-26)34-11-17(15(2)31-34)10-33-12-19(35)14-37-33/h6-9,11,13,16,19,35H,3-5,10,12,14H2,1-2H3,(H,28,29,30)/t19-/m0/s1
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 230n/an/an/an/an/a25



Genosco; Oscotec, Inc.

US Patent


Assay Description
Compounds of the invention were initially diluted to 10 mM in 100% DMSO (CALBIOCHEM) for storage and made into kinase buffer solution to create a com...


US Patent US9212178 (2015)


BindingDB Entry DOI: 10.7270/Q2X9294C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM196791
PNG
(US9212178, 20 | US9212178, 21)
Show SMILES CCn1cc(C(=O)C2CC2)c2cc(Nc3ncc(F)c(n3)-n3cc(CN4C[C@H](O)CO4)c(C)n3)ccc12 |r|
Show InChI InChI=1S/C26H28FN7O3/c1-3-32-13-21(24(36)16-4-5-16)20-8-18(6-7-23(20)32)29-26-28-9-22(27)25(30-26)34-11-17(15(2)31-34)10-33-12-19(35)14-37-33/h6-9,11,13,16,19,35H,3-5,10,12,14H2,1-2H3,(H,28,29,30)/t19-/m0/s1
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 66.2n/an/an/an/an/a25



Genosco; Oscotec, Inc.

US Patent


Assay Description
Compounds of the invention were initially diluted to 10 mM in 100% DMSO (CALBIOCHEM) for storage and made into kinase buffer solution to create a com...


US Patent US9212178 (2015)


BindingDB Entry DOI: 10.7270/Q2X9294C
More data for this
Ligand-Target Pair