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BDBM280172 US10028961, Compound 325

SMILES: CC(C)(O)CNc1nc(Nc2cc(F)cc(F)c2)nc(n1)-c1nccc(n1)C(F)(F)F

InChI Key: InChIKey=MDLNQVWWUAJKJT-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 = 280172   
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
idh2 r140q 16 hr nadph/ nadp


()
BDBM280172
PNG
(US10028961, Compound 325)
Show SMILES CC(C)(O)CNc1nc(Nc2cc(F)cc(F)c2)nc(n1)-c1nccc(n1)C(F)(F)F
Show InChI InChI=1S/C18H16F5N7O/c1-17(2,31)8-25-15-28-14(13-24-4-3-12(27-13)18(21,22)23)29-16(30-15)26-11-6-9(19)5-10(20)7-11/h3-7,31H,8H2,1-2H3,(H2,25,26,28,29,30)
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 75n/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
IDH2(R140Q)


(Homo sapiens (Human))
BDBM280172
PNG
(US10028961, Compound 325)
Show SMILES CC(C)(O)CNc1nc(Nc2cc(F)cc(F)c2)nc(n1)-c1nccc(n1)C(F)(F)F
Show InChI InChI=1S/C18H16F5N7O/c1-17(2,31)8-25-15-28-14(13-24-4-3-12(27-13)18(21,22)23)29-16(30-15)26-11-6-9(19)5-10(20)7-11/h3-7,31H,8H2,1-2H3,(H2,25,26,28,29,30)
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<50n/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, then the reactio...


US Patent US10028961 (2018)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (human))
BDBM280172
PNG
(US10028961, Compound 325)
Show SMILES CC(C)(O)CNc1nc(Nc2cc(F)cc(F)c2)nc(n1)-c1nccc(n1)C(F)(F)F
Show InChI InChI=1S/C18H16F5N7O/c1-17(2,31)8-25-15-28-14(13-24-4-3-12(27-13)18(21,22)23)29-16(30-15)26-11-6-9(19)5-10(20)7-11/h3-7,31H,8H2,1-2H3,(H2,25,26,28,29,30)
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
IDH1 R132H


(Homo sapiens (human))
BDBM280172
PNG
(US10028961, Compound 325)
Show SMILES CC(C)(O)CNc1nc(Nc2cc(F)cc(F)c2)nc(n1)-c1nccc(n1)C(F)(F)F
Show InChI InChI=1S/C18H16F5N7O/c1-17(2,31)8-25-15-28-14(13-24-4-3-12(27-13)18(21,22)23)29-16(30-15)26-11-6-9(19)5-10(20)7-11/h3-7,31H,8H2,1-2H3,(H2,25,26,28,29,30)
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