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BDBM280120 US10028961, Compound 273::US10172864, Compound 273

SMILES: CC(=O)N1CCC(CC1)Nc1nc(NC2CCC(F)(F)CC2)nc(n1)-c1cccc(n1)C(F)(F)F

InChI Key: InChIKey=PVZIUYNREPTYEJ-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 = 280120   
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))
BDBM280120
PNG
(US10028961, Compound 273 | US10172864, Compound 27...)
Show SMILES CC(=O)N1CCC(CC1)Nc1nc(NC2CCC(F)(F)CC2)nc(n1)-c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C22H26F5N7O/c1-13(35)34-11-7-15(8-12-34)29-20-32-18(16-3-2-4-17(30-16)22(25,26)27)31-19(33-20)28-14-5-9-21(23,24)10-6-14/h2-4,14-15H,5-12H2,1H3,(H2,28,29,31,32,33)
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


()
BDBM280120
PNG
(US10028961, Compound 273 | US10172864, Compound 27...)
Show SMILES CC(=O)N1CCC(CC1)Nc1nc(NC2CCC(F)(F)CC2)nc(n1)-c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C22H26F5N7O/c1-13(35)34-11-7-15(8-12-34)29-20-32-18(16-3-2-4-17(30-16)22(25,26)27)31-19(33-20)28-14-5-9-21(23,24)10-6-14/h2-4,14-15H,5-12H2,1H3,(H2,28,29,31,32,33)
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
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))
BDBM280120
PNG
(US10028961, Compound 273 | US10172864, Compound 27...)
Show SMILES CC(=O)N1CCC(CC1)Nc1nc(NC2CCC(F)(F)CC2)nc(n1)-c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C22H26F5N7O/c1-13(35)34-11-7-15(8-12-34)29-20-32-18(16-3-2-4-17(30-16)22(25,26)27)31-19(33-20)28-14-5-9-21(23,24)10-6-14/h2-4,14-15H,5-12H2,1H3,(H2,28,29,31,32,33)
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))
BDBM280120
PNG
(US10028961, Compound 273 | US10172864, Compound 27...)
Show SMILES CC(=O)N1CCC(CC1)Nc1nc(NC2CCC(F)(F)CC2)nc(n1)-c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C22H26F5N7O/c1-13(35)34-11-7-15(8-12-34)29-20-32-18(16-3-2-4-17(30-16)22(25,26)27)31-19(33-20)28-14-5-9-21(23,24)10-6-14/h2-4,14-15H,5-12H2,1H3,(H2,28,29,31,32,33)
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
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))
BDBM280120
PNG
(US10028961, Compound 273 | US10172864, Compound 27...)
Show SMILES CC(=O)N1CCC(CC1)Nc1nc(NC2CCC(F)(F)CC2)nc(n1)-c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C22H26F5N7O/c1-13(35)34-11-7-15(8-12-34)29-20-32-18(16-3-2-4-17(30-16)22(25,26)27)31-19(33-20)28-14-5-9-21(23,24)10-6-14/h2-4,14-15H,5-12H2,1H3,(H2,28,29,31,32,33)
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))
BDBM280120
PNG
(US10028961, Compound 273 | US10172864, Compound 27...)
Show SMILES CC(=O)N1CCC(CC1)Nc1nc(NC2CCC(F)(F)CC2)nc(n1)-c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C22H26F5N7O/c1-13(35)34-11-7-15(8-12-34)29-20-32-18(16-3-2-4-17(30-16)22(25,26)27)31-19(33-20)28-14-5-9-21(23,24)10-6-14/h2-4,14-15H,5-12H2,1H3,(H2,28,29,31,32,33)
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))
BDBM280120
PNG
(US10028961, Compound 273 | US10172864, Compound 27...)
Show SMILES CC(=O)N1CCC(CC1)Nc1nc(NC2CCC(F)(F)CC2)nc(n1)-c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C22H26F5N7O/c1-13(35)34-11-7-15(8-12-34)29-20-32-18(16-3-2-4-17(30-16)22(25,26)27)31-19(33-20)28-14-5-9-21(23,24)10-6-14/h2-4,14-15H,5-12H2,1H3,(H2,28,29,31,32,33)
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))
BDBM280120
PNG
(US10028961, Compound 273 | US10172864, Compound 27...)
Show SMILES CC(=O)N1CCC(CC1)Nc1nc(NC2CCC(F)(F)CC2)nc(n1)-c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C22H26F5N7O/c1-13(35)34-11-7-15(8-12-34)29-20-32-18(16-3-2-4-17(30-16)22(25,26)27)31-19(33-20)28-14-5-9-21(23,24)10-6-14/h2-4,14-15H,5-12H2,1H3,(H2,28,29,31,32,33)
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