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BDBM280102 US10028961, Compound 255

SMILES: FC(F)(F)c1cccc(n1)-c1nc(NC2CCOCC2)nc(NC2CCC(F)(F)CC2)n1

InChI Key: InChIKey=XOGJBAWBFBEDJT-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 280102   
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
IDH1 R132H


(Homo sapiens (human))
BDBM280102
PNG
(US10028961, Compound 255)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CCOCC2)nc(NC2CCC(F)(F)CC2)n1
Show InChI InChI=1S/C20H23F5N6O/c21-19(22)8-4-12(5-9-19)26-17-29-16(14-2-1-3-15(28-14)20(23,24)25)30-18(31-17)27-13-6-10-32-11-7-13/h1-3,12-13H,4-11H2,(H2,26,27,29,30,31)
GoogleScholar
AffyNet 
UniChem
n/an/a 550n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
A test compound is prepared as 10 mM stock in DMSO and diluted to 50 final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...


US Patent US10028961 (2018)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (human))
BDBM280102
PNG
(US10028961, Compound 255)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CCOCC2)nc(NC2CCC(F)(F)CC2)n1
Show InChI InChI=1S/C20H23F5N6O/c21-19(22)8-4-12(5-9-19)26-17-29-16(14-2-1-3-15(28-14)20(23,24)25)30-18(31-17)27-13-6-10-32-11-7-13/h1-3,12-13H,4-11H2,(H2,26,27,29,30,31)
GoogleScholar
AffyNet 
UniChem
n/an/a 550n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
In the primary reaction, the reduction of α-KG acid to 2-HG is accompanied by a concomitant oxidation of NADPH to NADP. The amount of NADPH rema...


US Patent US10028961 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM280102
PNG
(US10028961, Compound 255)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CCOCC2)nc(NC2CCC(F)(F)CC2)n1
Show InChI InChI=1S/C20H23F5N6O/c21-19(22)8-4-12(5-9-19)26-17-29-16(14-2-1-3-15(28-14)20(23,24)25)30-18(31-17)27-13-6-10-32-11-7-13/h1-3,12-13H,4-11H2,(H2,26,27,29,30,31)
GoogleScholar
AffyNet 
UniChem
n/an/a 550n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
In the primary reaction, the reduction of α-KG acid to 2-HG is accompanied by a concomitant oxidation of NADPH to NADP. The amount of NADPH rema...


US Patent US10028961 (2018)

More data for this
Ligand-Target Pair
idh2 r140q 16 hr nadph/ nadp


()
BDBM280102
PNG
(US10028961, Compound 255)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CCOCC2)nc(NC2CCC(F)(F)CC2)n1
Show InChI InChI=1S/C20H23F5N6O/c21-19(22)8-4-12(5-9-19)26-17-29-16(14-2-1-3-15(28-14)20(23,24)25)30-18(31-17)27-13-6-10-32-11-7-13/h1-3,12-13H,4-11H2,(H2,26,27,29,30,31)
GoogleScholar
AffyNet 
UniChem
n/an/a 550n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme and cofactor, the...


US Patent US10028961 (2018)

More data for this
Ligand-Target Pair