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BDBM215373 US9296736, 349::US9593129, Example 349

SMILES: CCS(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1

InChI Key: InChIKey=IYCQSZFHARZLMX-JTOATPROSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 215373   
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 (aa 1-188)


(Homo sapiens (Human))
BDBM215373
PNG
(US9296736, 349 | US9593129, Example 349)
Show SMILES CCS(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C27H31Cl2NO5S/c1-3-36(34,35)16-23(17-7-8-17)30-25(18-9-11-20(28)12-10-18)22(19-5-4-6-21(29)13-19)14-27(2,26(30)33)15-24(31)32/h4-6,9-13,17,22-23,25H,3,7-8,14-16H2,1-2H3,(H,31,32)/t22-,23-,25-,27-/m1/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.100n/an/an/an/an/an/a



Amgen, Inc.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9593129 (2017)


BindingDB Entry DOI: 10.7270/Q20P1232
More data for this
Ligand-Target Pair
MDM2 and p53


(Homo sapiens (Human))
BDBM215373
PNG
(US9296736, 349 | US9593129, Example 349)
Show SMILES CCS(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C27H31Cl2NO5S/c1-3-36(34,35)16-23(17-7-8-17)30-25(18-9-11-20(28)12-10-18)22(19-5-4-6-21(29)13-19)14-27(2,26(30)33)15-24(31)32/h4-6,9-13,17,22-23,25H,3,7-8,14-16H2,1-2H3,(H,31,32)/t22-,23-,25-,27-/m1/s1
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.100n/an/an/an/a7.425



Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair