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BDBM196777 US9212178, 29::US9212178, 6

SMILES: CCn1cc(C(=O)C2CC2)c2cc(Nc3nccc(n3)-n3cc(CN4C[C@H](O)CO4)c(C)n3)ccc12

InChI Key: InChIKey=PWEKRGOZHHLNMO-FQEVSTJZSA-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 = 196777   
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))
BDBM196777
PNG
(US9212178, 29 | US9212178, 6)
Show SMILES CCn1cc(C(=O)C2CC2)c2cc(Nc3nccc(n3)-n3cc(CN4C[C@H](O)CO4)c(C)n3)ccc12 |r|
Show InChI InChI=1S/C26H29N7O3/c1-3-31-14-22(25(35)17-4-5-17)21-10-19(6-7-23(21)31)28-26-27-9-8-24(29-26)33-12-18(16(2)30-33)11-32-13-20(34)15-36-32/h6-10,12,14,17,20,34H,3-5,11,13,15H2,1-2H3,(H,27,28,29)/t20-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 69.5n/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))
BDBM196777
PNG
(US9212178, 29 | US9212178, 6)
Show SMILES CCn1cc(C(=O)C2CC2)c2cc(Nc3nccc(n3)-n3cc(CN4C[C@H](O)CO4)c(C)n3)ccc12 |r|
Show InChI InChI=1S/C26H29N7O3/c1-3-31-14-22(25(35)17-4-5-17)21-10-19(6-7-23(21)31)28-26-27-9-8-24(29-26)33-12-18(16(2)30-33)11-32-13-20(34)15-36-32/h6-10,12,14,17,20,34H,3-5,11,13,15H2,1-2H3,(H,27,28,29)/t20-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.69n/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