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BDBM218191 6-{[(1r)-1- cyclopropyl- ethyl]amino}- 8-(2,3-dimethyl- phenyl)-7-[4- (trifluoromethyl) benzyl]-7h- purine-2- carboxylic acid::US9540377, 2.59

SMILES: C[C@@H](Nc1nc(nc2nc(-c3cccc(C)c3C)n(Cc3ccc(cc3)C(F)(F)F)c12)C(O)=O)C1CC1

InChI Key: InChIKey=QIIWMJZOLWTVDS-XISACWJONA-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 = 218191   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
p53-binding protein Mdm2


(Homo sapiens (Human))
BDBM218191
PNG
(6-{[(1r)-1- cyclopropyl- ethyl]amino}- 8-(2,3-dime...)
Show SMILES C[C@@H](Nc1nc(nc2nc(-c3cccc(C)c3C)n(Cc3ccc(cc3)C(F)(F)F)c12)C(O)=O)C1CC1
Show InChI InChI=1/C27H26F3N5O2/c1-14-5-4-6-20(15(14)2)25-34-23-21(35(25)13-17-7-11-19(12-8-17)27(28,29)30)22(31-16(3)18-9-10-18)32-24(33-23)26(36)37/h4-8,11-12,16,18H,9-10,13H2,1-3H3,(H,36,37)(H,31,32,33)/t16-/s2
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 147n/an/an/an/an/a25



Merck Sharp & Dohme Corp

US Patent


Assay Description
An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...


US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
More data for this
Ligand-Target Pair