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SMILES: COc1cc(OC)c(F)c(c1F)-c1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)cn2)c2ncccc12

InChI Key: InChIKey=LYMUUHRXBLNABW-UHFFFAOYSA-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 = 102548   
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
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM102548
PNG
(US8536175, 174)
Show SMILES COc1cc(OC)c(F)c(c1F)-c1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)cn2)c2ncccc12 |(10.39,-2.67,;8.85,-2.67,;8.08,-1.34,;8.85,-.01,;8.08,1.33,;8.85,2.66,;8.08,3.99,;6.54,1.33,;5.77,2.66,;5.77,-.01,;6.54,-1.34,;5.77,-2.67,;4.23,-.01,;3.46,1.33,;1.92,1.33,;1.15,-.01,;-.39,-.01,;-1.16,1.33,;-1.16,-1.34,;-2.7,-1.34,;-3.47,-.01,;-5.01,-.01,;-5.78,-1.34,;-7.32,-1.34,;-8.09,-.01,;-7.32,1.33,;-8.09,2.66,;-9.63,2.66,;-10.4,3.99,;-10.4,1.33,;-9.63,-.01,;-5.01,-2.67,;-3.47,-2.67,;1.92,-1.34,;1.15,-2.67,;1.92,-4.01,;3.46,-4.01,;4.23,-2.67,;3.46,-1.34,)|
Show InChI InChI=1S/C29H29F2N5O3/c1-35-11-13-36(14-12-35)17-18-6-9-24(33-16-18)34-29(37)21-8-7-19(20-5-4-10-32-28(20)21)25-26(30)22(38-2)15-23(39-3)27(25)31/h4-10,15-16H,11-14,17H2,1-3H3,(H,33,34,37)
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Similars

US Patent
n/an/a 16n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
The assay has been run at room temperature on a liquid handling robot. To the assay plates containing 50 mL compound or control solutions, 4.5 uL of ...


US Patent US8815901 (2014)


BindingDB Entry DOI: 10.7270/Q2XG9PT8
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM102548
PNG
(US8536175, 174)
Show SMILES COc1cc(OC)c(F)c(c1F)-c1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)cn2)c2ncccc12 |(10.39,-2.67,;8.85,-2.67,;8.08,-1.34,;8.85,-.01,;8.08,1.33,;8.85,2.66,;8.08,3.99,;6.54,1.33,;5.77,2.66,;5.77,-.01,;6.54,-1.34,;5.77,-2.67,;4.23,-.01,;3.46,1.33,;1.92,1.33,;1.15,-.01,;-.39,-.01,;-1.16,1.33,;-1.16,-1.34,;-2.7,-1.34,;-3.47,-.01,;-5.01,-.01,;-5.78,-1.34,;-7.32,-1.34,;-8.09,-.01,;-7.32,1.33,;-8.09,2.66,;-9.63,2.66,;-10.4,3.99,;-10.4,1.33,;-9.63,-.01,;-5.01,-2.67,;-3.47,-2.67,;1.92,-1.34,;1.15,-2.67,;1.92,-4.01,;3.46,-4.01,;4.23,-2.67,;3.46,-1.34,)|
Show InChI InChI=1S/C29H29F2N5O3/c1-35-11-13-36(14-12-35)17-18-6-9-24(33-16-18)34-29(37)21-8-7-19(20-5-4-10-32-28(20)21)25-26(30)22(38-2)15-23(39-3)27(25)31/h4-10,15-16H,11-14,17H2,1-3H3,(H,33,34,37)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 16n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Protein kinase activity measured by the microfluidic caliper method.


US Patent US8536175 (2013)


BindingDB Entry DOI: 10.7270/Q27D2SSH
More data for this
Ligand-Target Pair