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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]' and Ligand = 'BDBM375224'   
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
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))
BDBM375224
PNG
(6-({[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)- | US1...)
Show SMILES Cc1nc(NCc2cc3cc(Cl)c(OCc4ccccn4)cc3[nH]c2=O)ccc1C#N
Show InChI InChI=1S/C23H18ClN5O2/c1-14-15(11-25)5-6-22(28-14)27-12-17-8-16-9-19(24)21(10-20(16)29-23(17)30)31-13-18-4-2-3-7-26-18/h2-10H,12-13H2,1H3,(H,27,28)(H,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 55n/an/an/an/an/an/a



Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...


Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair