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BDBM326568 US9662327, Compound 265

SMILES: CC(C)[C@@H]1CN(CCN1C(=O)Cc1cccnc1)c1nc(C2CC2)c2COC(C)(C)Cc2c1C#N

InChI Key: InChIKey=ATCMOSAJAAALAE-DEOSSOPVSA-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 = 326568   
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))
BDBM326568
PNG
(US9662327, Compound 265)
Show SMILES CC(C)[C@@H]1CN(CCN1C(=O)Cc1cccnc1)c1nc(C2CC2)c2COC(C)(C)Cc2c1C#N
Show InChI InChI=1S/C28H35N5O2/c1-18(2)24-16-32(10-11-33(24)25(34)12-19-6-5-9-30-15-19)27-22(14-29)21-13-28(3,4)35-17-23(21)26(31-27)20-7-8-20/h5-6,9,15,18,20,24H,7-8,10-13,16-17H2,1-4H3/t24-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/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