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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'IDH1 R132C' and Ligand = 'BDBM280113'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
IDH1 R132C


(Homo sapiens (human))
BDBM280113
PNG
(US10028961, Compound 266 | US10172864, Compound 26...)
Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1nc(NC2CCC(F)(F)CC2)nc(n1)-c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C21H26F5N7O2S/c1-36(34,35)33-11-7-14(8-12-33)28-19-31-17(15-3-2-4-16(29-15)21(24,25)26)30-18(32-19)27-13-5-9-20(22,23)10-6-13/h2-4,13-14H,5-12H2,1H3,(H2,27,28,30,31,32)
PDB

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