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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 278567   
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 R132H


(Homo sapiens (Human))
BDBM278567
PNG
( (2E)-3-(1-{[5-(Propan-2-yl)-3-(2,4,6-trichlorophe...)
Show SMILES CC(C)c1onc(c1C(=O)n1cc(C)c2c(\C=C\C(O)=O)cccc12)-c1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C25H19Cl3N2O4/c1-12(2)24-22(23(29-34-24)21-16(27)9-15(26)10-17(21)28)25(33)30-11-13(3)20-14(7-8-19(31)32)5-4-6-18(20)30/h4-12H,1-3H3,(H,31,32)/b8-7+
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 14n/an/an/an/a7.525



Daiichi Sankyo Company, Limited; National Cancer Center

US Patent


Assay Description
The IDH1R132H protein and the IDH1R132C protein were prepared as follows: the IDH1R132H or IDH1R132C gene was integrated into a pET24b(+) vector (Nov...


US Patent US10040791 (2018)

More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM278567
PNG
( (2E)-3-(1-{[5-(Propan-2-yl)-3-(2,4,6-trichlorophe...)
Show SMILES CC(C)c1onc(c1C(=O)n1cc(C)c2c(\C=C\C(O)=O)cccc12)-c1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C25H19Cl3N2O4/c1-12(2)24-22(23(29-34-24)21-16(27)9-15(26)10-17(21)28)25(33)30-11-13(3)20-14(7-8-19(31)32)5-4-6-18(20)30/h4-12H,1-3H3,(H,31,32)/b8-7+
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 102n/an/an/an/a7.525



Daiichi Sankyo Company, Limited; National Cancer Center

US Patent


Assay Description
The IDH1R132H protein and the IDH1R132C protein were prepared as follows: the IDH1R132H or IDH1R132C gene was integrated into a pET24b(+) vector (Nov...


US Patent US10040791 (2018)

More data for this
Ligand-Target Pair