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BDBM220145 7-(4-bromobenzyl)-6- [(2- methylcyclohexyl)amino]- 8-(3- methylphenyl)-7h- purine-2-carboxylic acid::US9540377, 6.10::US9540377, 6.9

SMILES: CC1CCCCC1Nc1nc(nc2nc(-c3cccc(C)c3)n(Cc3ccc(Br)cc3)c12)C(O)=O

InChI Key: InChIKey=WSKKVKRUQGEOPT-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 220145   
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))
BDBM220145
PNG
(7-(4-bromobenzyl)-6- [(2- methylcyclohexyl)amino]-...)
Show SMILES CC1CCCCC1Nc1nc(nc2nc(-c3cccc(C)c3)n(Cc3ccc(Br)cc3)c12)C(O)=O
Show InChI InChI=1S/C27H28BrN5O2/c1-16-6-5-8-19(14-16)26-32-24-22(33(26)15-18-10-12-20(28)13-11-18)23(30-25(31-24)27(34)35)29-21-9-4-3-7-17(21)2/h5-6,8,10-14,17,21H,3-4,7,9,15H2,1-2H3,(H,34,35)(H,29,30,31)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.04E+3n/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
p53-binding protein Mdm2


(Homo sapiens (Human))
BDBM220145
PNG
(7-(4-bromobenzyl)-6- [(2- methylcyclohexyl)amino]-...)
Show SMILES CC1CCCCC1Nc1nc(nc2nc(-c3cccc(C)c3)n(Cc3ccc(Br)cc3)c12)C(O)=O
Show InChI InChI=1S/C27H28BrN5O2/c1-16-6-5-8-19(14-16)26-32-24-22(33(26)15-18-10-12-20(28)13-11-18)23(30-25(31-24)27(34)35)29-21-9-4-3-7-17(21)2/h5-6,8,10-14,17,21H,3-4,7,9,15H2,1-2H3,(H,34,35)(H,29,30,31)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 22.3n/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