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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'IDH2 (R172K, 40-end)' and Ligand = 'BDBM310939'   
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
IDH2 (R172K, 40-end)


(Homo sapiens (Human))
BDBM310939
PNG
(US10155722, Example 13)
Show SMILES Cc1cc(-c2ccc(cc2NC(=O)Nc2cccc(c2)C(F)(F)F)C(F)(F)C(=O)NC2CC2)n(C)n1
Show InChI InChI=1S/C24H22F5N5O2/c1-13-10-20(34(2)33-13)18-9-6-14(23(25,26)21(35)30-16-7-8-16)12-19(18)32-22(36)31-17-5-3-4-15(11-17)24(27,28)29/h3-6,9-12,16H,7-8H2,1-2H3,(H,30,35)(H2,31,32,36)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 106n/an/an/an/an/an/a



Chia Tai Tianqing Pharmaceutical Group Co., Ltd.; Lianyungang Runzhong Pharmaceutical Co., Ltd.; Centaurus Biopharma Co., Ltd.

US Patent


Assay Description
The inhibitory activity of a compound against IDH2 (R172K, 40-end) was determined by the decrease of a helper factor NADPH. The test compound was pre...


US Patent US10155722 (2018)

More data for this
Ligand-Target Pair