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SMILES: CNC(=O)N1CCC(CC1)N1C(c2c(cc(-c3cnc(OC)nc3OC)n2C(C)C)C1=O)c1ccc(Cl)cc1

InChI Key: InChIKey=FSAYSWYPULVFEH-UHFFFAOYSA-N

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 3 hits for monomerid = 236354   
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
Cellular tumor antigen p53 [18-26]/E3 ubiquitin-protein ligase Mdm2 [2-188]


(Homo sapiens (Human))
BDBM236354
PNG
(US9365576, 107)
Show SMILES CNC(=O)N1CCC(CC1)N1C(c2c(cc(-c3cnc(OC)nc3OC)n2C(C)C)C1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H33ClN6O4/c1-16(2)34-22(21-15-31-27(39-5)32-25(21)38-4)14-20-24(34)23(17-6-8-18(29)9-7-17)35(26(20)36)19-10-12-33(13-11-19)28(37)30-3/h6-9,14-16,19,23H,10-13H2,1-5H3,(H,30,37)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
Assay 1: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


US Patent US9365576 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43XR
More data for this
Ligand-Target Pair
Cellular tumor antigen p53 [18-26]/E3 ubiquitin-protein ligase Mdm2 [2-188]


(Homo sapiens (Human))
BDBM236354
PNG
(US9365576, 107)
Show SMILES CNC(=O)N1CCC(CC1)N1C(c2c(cc(-c3cnc(OC)nc3OC)n2C(C)C)C1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H33ClN6O4/c1-16(2)34-22(21-15-31-27(39-5)32-25(21)38-4)14-20-24(34)23(17-6-8-18(29)9-7-17)35(26(20)36)19-10-12-33(13-11-19)28(37)30-3/h6-9,14-16,19,23H,10-13H2,1-5H3,(H,30,37)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.69n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


US Patent US9365576 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43XR
More data for this
Ligand-Target Pair
Cellular tumor antigen p53 [18-26]/Protein Mdm4 [2-185]


(Homo sapiens (Human))
BDBM236354
PNG
(US9365576, 107)
Show SMILES CNC(=O)N1CCC(CC1)N1C(c2c(cc(-c3cnc(OC)nc3OC)n2C(C)C)C1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H33ClN6O4/c1-16(2)34-22(21-15-31-27(39-5)32-25(21)38-4)14-20-24(34)23(17-6-8-18(29)9-7-17)35(26(20)36)19-10-12-33(13-11-19)28(37)30-3/h6-9,14-16,19,23H,10-13H2,1-5H3,(H,30,37)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.64E+3n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
Assay 1: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...


US Patent US9365576 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43XR
More data for this
Ligand-Target Pair