BindingDB logo
myBDB logout

BDBM280259 US10028961, Compound 418

SMILES: CC(Nc1cc(NC2CCC(F)(F)CC2)nc(n1)-c1cccc(Cl)n1)C(F)(F)F

InChI Key: InChIKey=KKGDMBANXIMCDA-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 280259   
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))
BDBM280259
PNG
(US10028961, Compound 418)
Show SMILES CC(Nc1cc(NC2CCC(F)(F)CC2)nc(n1)-c1cccc(Cl)n1)C(F)(F)F
Show InChI InChI=1S/C18H19ClF5N5/c1-10(18(22,23)24)25-14-9-15(26-11-5-7-17(20,21)8-6-11)29-16(28-14)12-3-2-4-13(19)27-12/h2-4,9-11H,5-8H2,1H3,(H2,25,26,28,29)
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 75n/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 16 hr nadph/ nadp


()
BDBM280259
PNG
(US10028961, Compound 418)
Show SMILES CC(Nc1cc(NC2CCC(F)(F)CC2)nc(n1)-c1cccc(Cl)n1)C(F)(F)F
Show InChI InChI=1S/C18H19ClF5N5/c1-10(18(22,23)24)25-14-9-15(26-11-5-7-17(20,21)8-6-11)29-16(28-14)12-3-2-4-13(19)27-12/h2-4,9-11H,5-8H2,1H3,(H2,25,26,28,29)
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 and cofactor, the...


US Patent US10028961 (2018)

More data for this
Ligand-Target Pair