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SMILES: CCn1c2cc(ncc2cc(-c2c(Cl)c(OC)cc(OC)c2Cl)c1=O)-c1cc(NC(=O)C=C)ccc1OC

InChI Key: InChIKey=UNRZERCRSJMUJU-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 = 103856   
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
Eukaryotic translation initiation factor 2-alpha kinase 3


(Homo sapiens (Human))
BDBM103856
PNG
(US9695165, 39)
Show SMILES CCn1c2cc(ncc2cc(-c2c(Cl)c(OC)cc(OC)c2Cl)c1=O)-c1cc(NC(=O)C=C)ccc1OC |(4.67,1.54,;3.33,.77,;2,1.54,;.67,.77,;.67,-.77,;-.67,-1.54,;-2,-.77,;-2,.77,;-.67,1.54,;-.67,3.08,;.67,3.85,;.67,5.39,;-.67,6.16,;-2,5.39,;-.67,7.7,;-2,8.47,;-3.33,7.7,;.67,8.47,;2,7.7,;3.33,8.47,;3.33,10.01,;2,6.16,;3.33,5.39,;2,3.08,;3.33,3.85,;-.67,-3.08,;.67,-3.85,;.67,-5.39,;2,-6.16,;2,-7.7,;.67,-8.47,;3.33,-8.47,;3.33,-10.01,;-.67,-6.16,;-2,-5.39,;-2,-3.85,;-3.33,-3.08,;-4.67,-3.85,)|
Show InChI InChI=1S/C28H25Cl2N3O5/c1-6-24(34)32-16-8-9-21(36-3)17(11-16)19-12-20-15(14-31-19)10-18(28(35)33(20)7-2)25-26(29)22(37-4)13-23(38-5)27(25)30/h6,8-14H,1,7H2,2-5H3,(H,32,34)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
MDA-MB453 cells were plated in 96-well cell culture plates at a density of 1x105 cells. Cells were allowed to attach, and growth media was replaced w...


US Patent US9695165 (2017)


BindingDB Entry DOI: 10.7270/Q25M67QZ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM103856
PNG
(US9695165, 39)
Show SMILES CCn1c2cc(ncc2cc(-c2c(Cl)c(OC)cc(OC)c2Cl)c1=O)-c1cc(NC(=O)C=C)ccc1OC |(4.67,1.54,;3.33,.77,;2,1.54,;.67,.77,;.67,-.77,;-.67,-1.54,;-2,-.77,;-2,.77,;-.67,1.54,;-.67,3.08,;.67,3.85,;.67,5.39,;-.67,6.16,;-2,5.39,;-.67,7.7,;-2,8.47,;-3.33,7.7,;.67,8.47,;2,7.7,;3.33,8.47,;3.33,10.01,;2,6.16,;3.33,5.39,;2,3.08,;3.33,3.85,;-.67,-3.08,;.67,-3.85,;.67,-5.39,;2,-6.16,;2,-7.7,;.67,-8.47,;3.33,-8.47,;3.33,-10.01,;-.67,-6.16,;-2,-5.39,;-2,-3.85,;-3.33,-3.08,;-4.67,-3.85,)|
Show InChI InChI=1S/C28H25Cl2N3O5/c1-6-24(34)32-16-8-9-21(36-3)17(11-16)19-12-20-15(14-31-19)10-18(28(35)33(20)7-2)25-26(29)22(37-4)13-23(38-5)27(25)30/h6,8-14H,1,7H2,2-5H3,(H,32,34)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/a7.525



BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 0.5 ng/ul of wild type FGFR-4 (Carna Biosciences, Inc.) was incubated in a total of 12.5 ul of buffer (100 mM HEPES...


US Patent US9695165 (2017)


BindingDB Entry DOI: 10.7270/Q25M67QZ
More data for this
Ligand-Target Pair