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BDBM326663 US9662327, Compound 329

SMILES: CCCCOC(=O)N1CCN(CC1C(=O)OCC)c1nc(C(C)C)c2COC(C)(C)Cc2c1C#N

InChI Key: InChIKey=LPNUTUJQSWDCJP-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 326663   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
IDH1 R132H


(Homo sapiens (Human))
BDBM326663
PNG
(US9662327, Compound 329)
Show SMILES CCCCOC(=O)N1CCN(CC1C(=O)OCC)c1nc(C(C)C)c2COC(C)(C)Cc2c1C#N
Show InChI InChI=1S/C26H38N4O5/c1-7-9-12-34-25(32)30-11-10-29(15-21(30)24(31)33-8-2)23-19(14-27)18-13-26(5,6)35-16-20(18)22(28-23)17(3)4/h17,21H,7-13,15-16H2,1-6H3
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/an/an/an/an/an/a



Agios Pharmaceuticals Inc

US Patent


Assay Description
Assays were conducted in a volume of 76 μl assay buffer (150 mM NaCl, 10 mM MgCl2, 20 mM Tris pH 7.5, 0.03% bovine serum albumin) as follows in ...


US Patent US9662327 (2017)


BindingDB Entry DOI: 10.7270/Q2RB76P0
More data for this
Ligand-Target Pair