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BDBM280050 US10028961, Compound 203

SMILES: C[C@@H](Nc1nc(NC(C)C(F)(F)F)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1

InChI Key: InChIKey=AFJDSJYOWKPURG-VEDVMXKPSA-N

Data: 5 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 5 hits for monomerid = 280050   
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))
BDBM280050
PNG
(US10028961, Compound 203)
Show SMILES C[C@@H](Nc1nc(NC(C)C(F)(F)F)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1
Show InChI InChI=1S/C17H18F6N6/c1-8(10-6-7-10)24-14-27-13(11-4-3-5-12(26-11)17(21,22)23)28-15(29-14)25-9(2)16(18,19)20/h3-5,8-10H,6-7H2,1-2H3,(H2,24,25,27,28,29)/t8-,9?/m1/s1
GoogleScholar
AffyNet 
UniChem
n/an/a<50n/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 R132C


(Homo sapiens (human))
BDBM280050
PNG
(US10028961, Compound 203)
Show SMILES C[C@@H](Nc1nc(NC(C)C(F)(F)F)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1
Show InChI InChI=1S/C17H18F6N6/c1-8(10-6-7-10)24-14-27-13(11-4-3-5-12(26-11)17(21,22)23)28-15(29-14)25-9(2)16(18,19)20/h3-5,8-10H,6-7H2,1-2H3,(H2,24,25,27,28,29)/t8-,9?/m1/s1
GoogleScholar
AffyNet 
UniChem
n/an/a<50n/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


()
BDBM280050
PNG
(US10028961, Compound 203)
Show SMILES C[C@@H](Nc1nc(NC(C)C(F)(F)F)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1
Show InChI InChI=1S/C17H18F6N6/c1-8(10-6-7-10)24-14-27-13(11-4-3-5-12(26-11)17(21,22)23)28-15(29-14)25-9(2)16(18,19)20/h3-5,8-10H,6-7H2,1-2H3,(H2,24,25,27,28,29)/t8-,9?/m1/s1
GoogleScholar
AffyNet 
UniChem
n/an/a<50n/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
IDH1 R132H


(Homo sapiens (human))
BDBM280050
PNG
(US10028961, Compound 203)
Show SMILES C[C@@H](Nc1nc(NC(C)C(F)(F)F)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1
Show InChI InChI=1S/C17H18F6N6/c1-8(10-6-7-10)24-14-27-13(11-4-3-5-12(26-11)17(21,22)23)28-15(29-14)25-9(2)16(18,19)20/h3-5,8-10H,6-7H2,1-2H3,(H2,24,25,27,28,29)/t8-,9?/m1/s1
GoogleScholar
AffyNet 
UniChem
n/an/a<50n/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
IDH2(R140Q)


(Homo sapiens (Human))
BDBM280050
PNG
(US10028961, Compound 203)
Show SMILES C[C@@H](Nc1nc(NC(C)C(F)(F)F)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1
Show InChI InChI=1S/C17H18F6N6/c1-8(10-6-7-10)24-14-27-13(11-4-3-5-12(26-11)17(21,22)23)28-15(29-14)25-9(2)16(18,19)20/h3-5,8-10H,6-7H2,1-2H3,(H2,24,25,27,28,29)/t8-,9?/m1/s1
GoogleScholar
AffyNet 
UniChem
n/an/a<50n/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, then the reactio...


US Patent US10028961 (2018)

More data for this
Ligand-Target Pair