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BDBM135453 US8846657, 19.4

SMILES: CCC(CS(C)(=O)=O)c1nc2cc(nc(-c3cncc(Cl)c3)c2n1C[C@H]1CC[C@H](C)CC1)-c1noc(=O)[nH]1

InChI Key: InChIKey=AROHMTKSOGZKIM-BDWYFLKXNA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 135453   
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
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM135453
PNG
(US8846657, 19.4)
Show SMILES CCC(CS(C)(=O)=O)c1nc2cc(nc(-c3cncc(Cl)c3)c2n1C[C@H]1CC[C@H](C)CC1)-c1noc(=O)[nH]1
Show InChI InChI=1/C26H31ClN6O4S/c1-4-17(14-38(3,35)36)25-30-20-10-21(24-31-26(34)37-32-24)29-22(18-9-19(27)12-28-11-18)23(20)33(25)13-16-7-5-15(2)6-8-16/h9-12,15-17H,4-8,13-14H2,1-3H3,(H,31,32,34)/t15-,16-,17?
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 7n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US8962611 (2015)


BindingDB Entry DOI: 10.7270/Q28G8JDZ
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM135453
PNG
(US8846657, 19.4)
Show SMILES CCC(CS(C)(=O)=O)c1nc2cc(nc(-c3cncc(Cl)c3)c2n1C[C@H]1CC[C@H](C)CC1)-c1noc(=O)[nH]1
Show InChI InChI=1/C26H31ClN6O4S/c1-4-17(14-38(3,35)36)25-30-20-10-21(24-31-26(34)37-32-24)29-22(18-9-19(27)12-28-11-18)23(20)33(25)13-16-7-5-15(2)6-8-16/h9-12,15-17H,4-8,13-14H2,1-3H3,(H,31,32,34)/t15-,16-,17?
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 7n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US8846657 (2014)


BindingDB Entry DOI: 10.7270/Q29C6W3K
More data for this
Ligand-Target Pair