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BDBM280127 US10028961, Compound 280::US10172864, Compound 280

SMILES: FC(F)(F)c1cccc(n1)-c1nc(NC2CCN(Cc3ccccc3)C2)nc(NC2CCC(F)(F)C2)n1

InChI Key: InChIKey=UWVLIFBOSBPFON-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 280127   
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))
BDBM280127
PNG
(US10028961, Compound 280 | US10172864, Compound 28...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CCN(Cc3ccccc3)C2)nc(NC2CCC(F)(F)C2)n1
Show InChI InChI=1S/C25H26F5N7/c26-24(27)11-9-17(13-24)31-22-34-21(19-7-4-8-20(33-19)25(28,29)30)35-23(36-22)32-18-10-12-37(15-18)14-16-5-2-1-3-6-16/h1-8,17-18H,9-15H2,(H2,31,32,34,35,36)
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+3n/an/an/an/a7.525



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
idh2 r140q 16 hr nadph/ nadp


()
BDBM280127
PNG
(US10028961, Compound 280 | US10172864, Compound 28...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CCN(Cc3ccccc3)C2)nc(NC2CCC(F)(F)C2)n1
Show InChI InChI=1S/C25H26F5N7/c26-24(27)11-9-17(13-24)31-22-34-21(19-7-4-8-20(33-19)25(28,29)30)35-23(36-22)32-18-10-12-37(15-18)14-16-5-2-1-3-6-16/h1-8,17-18H,9-15H2,(H2,31,32,34,35,36)
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/a7.525



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
IDH1 R132H


(Homo sapiens (human))
BDBM280127
PNG
(US10028961, Compound 280 | US10172864, Compound 28...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CCN(Cc3ccccc3)C2)nc(NC2CCC(F)(F)C2)n1
Show InChI InChI=1S/C25H26F5N7/c26-24(27)11-9-17(13-24)31-22-34-21(19-7-4-8-20(33-19)25(28,29)30)35-23(36-22)32-18-10-12-37(15-18)14-16-5-2-1-3-6-16/h1-8,17-18H,9-15H2,(H2,31,32,34,35,36)
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/a6.525



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)


(Homo sapiens (Human))
BDBM280127
PNG
(US10028961, Compound 280 | US10172864, Compound 28...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CCN(Cc3ccccc3)C2)nc(NC2CCC(F)(F)C2)n1
Show InChI InChI=1S/C25H26F5N7/c26-24(27)11-9-17(13-24)31-22-34-21(19-7-4-8-20(33-19)25(28,29)30)35-23(36-22)32-18-10-12-37(15-18)14-16-5-2-1-3-6-16/h1-8,17-18H,9-15H2,(H2,31,32,34,35,36)
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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 US10172864 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM280127
PNG
(US10028961, Compound 280 | US10172864, Compound 28...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CCN(Cc3ccccc3)C2)nc(NC2CCC(F)(F)C2)n1
Show InChI InChI=1S/C25H26F5N7/c26-24(27)11-9-17(13-24)31-22-34-21(19-7-4-8-20(33-19)25(28,29)30)35-23(36-22)32-18-10-12-37(15-18)14-16-5-2-1-3-6-16/h1-8,17-18H,9-15H2,(H2,31,32,34,35,36)
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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 US10172864 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM280127
PNG
(US10028961, Compound 280 | US10172864, Compound 28...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CCN(Cc3ccccc3)C2)nc(NC2CCC(F)(F)C2)n1
Show InChI InChI=1S/C25H26F5N7/c26-24(27)11-9-17(13-24)31-22-34-21(19-7-4-8-20(33-19)25(28,29)30)35-23(36-22)32-18-10-12-37(15-18)14-16-5-2-1-3-6-16/h1-8,17-18H,9-15H2,(H2,31,32,34,35,36)
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/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 US10172864 (2019)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM280127
PNG
(US10028961, Compound 280 | US10172864, Compound 28...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CCN(Cc3ccccc3)C2)nc(NC2CCC(F)(F)C2)n1
Show InChI InChI=1S/C25H26F5N7/c26-24(27)11-9-17(13-24)31-22-34-21(19-7-4-8-20(33-19)25(28,29)30)35-23(36-22)32-18-10-12-37(15-18)14-16-5-2-1-3-6-16/h1-8,17-18H,9-15H2,(H2,31,32,34,35,36)
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/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 US10172864 (2019)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (human))
BDBM280127
PNG
(US10028961, Compound 280 | US10172864, Compound 28...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CCN(Cc3ccccc3)C2)nc(NC2CCC(F)(F)C2)n1
Show InChI InChI=1S/C25H26F5N7/c26-24(27)11-9-17(13-24)31-22-34-21(19-7-4-8-20(33-19)25(28,29)30)35-23(36-22)32-18-10-12-37(15-18)14-16-5-2-1-3-6-16/h1-8,17-18H,9-15H2,(H2,31,32,34,35,36)
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+3n/an/an/an/a6.525



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