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BDBM103852 US9695165, 35

SMILES: CCn1c2nc(ncc2cc(-c2c(Cl)c(OC)cc(OC)c2Cl)c1=O)-c1ccc2CCN(C(=O)C=C)c2c1

InChI Key: InChIKey=POJQQQNEPZLIBG-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 = 103852   
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))
BDBM103852
PNG
(US9695165, 35)
Show SMILES CCn1c2nc(ncc2cc(-c2c(Cl)c(OC)cc(OC)c2Cl)c1=O)-c1ccc2CCN(C(=O)C=C)c2c1 |(5.19,.45,;3.86,-.32,;2.53,.45,;1.19,-.32,;1.19,-1.86,;-.14,-2.63,;-1.47,-1.86,;-1.47,-.32,;-.14,.45,;-.14,1.99,;1.19,2.76,;1.19,4.3,;-.14,5.07,;-1.47,4.3,;-.14,6.61,;-1.47,7.38,;-2.81,6.61,;1.19,7.38,;2.53,6.61,;3.86,7.38,;3.86,8.92,;2.53,5.07,;3.86,4.3,;2.53,1.99,;3.86,2.76,;-.14,-4.17,;1.19,-4.94,;1.19,-6.48,;-.14,-7.25,;-.46,-8.76,;-1.99,-8.92,;-2.62,-7.51,;-4.11,-7.11,;-5.19,-8.2,;-4.5,-5.63,;-3.42,-4.54,;-1.47,-6.48,;-1.47,-4.94,)|
Show InChI InChI=1S/C28H24Cl2N4O4/c1-5-22(35)34-10-9-15-7-8-16(12-19(15)34)26-31-14-17-11-18(28(36)33(6-2)27(17)32-26)23-24(29)20(37-3)13-21(38-4)25(23)30/h5,7-8,11-14H,1,6,9-10H2,2-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 55n/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))
BDBM103852
PNG
(US9695165, 35)
Show SMILES CCn1c2nc(ncc2cc(-c2c(Cl)c(OC)cc(OC)c2Cl)c1=O)-c1ccc2CCN(C(=O)C=C)c2c1 |(5.19,.45,;3.86,-.32,;2.53,.45,;1.19,-.32,;1.19,-1.86,;-.14,-2.63,;-1.47,-1.86,;-1.47,-.32,;-.14,.45,;-.14,1.99,;1.19,2.76,;1.19,4.3,;-.14,5.07,;-1.47,4.3,;-.14,6.61,;-1.47,7.38,;-2.81,6.61,;1.19,7.38,;2.53,6.61,;3.86,7.38,;3.86,8.92,;2.53,5.07,;3.86,4.3,;2.53,1.99,;3.86,2.76,;-.14,-4.17,;1.19,-4.94,;1.19,-6.48,;-.14,-7.25,;-.46,-8.76,;-1.99,-8.92,;-2.62,-7.51,;-4.11,-7.11,;-5.19,-8.2,;-4.5,-5.63,;-3.42,-4.54,;-1.47,-6.48,;-1.47,-4.94,)|
Show InChI InChI=1S/C28H24Cl2N4O4/c1-5-22(35)34-10-9-15-7-8-16(12-19(15)34)26-31-14-17-11-18(28(36)33(6-2)27(17)32-26)23-24(29)20(37-3)13-21(38-4)25(23)30/h5,7-8,11-14H,1,6,9-10H2,2-4H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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