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SMILES: CC[C@@](O)(c1cn(C)cn1)c1cc2C(=O)N(Cc3ccc(cc3)C#N)[C@](O[C@H]3CCOC3)(c2c(F)c1)c1ccc(Cl)cc1

InChI Key: InChIKey=CDUKUNZREUVQKN-FRJUPVQCSA-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 2 hits for monomerid = 427156   
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 [1-83]/E3 ubiquitin-protein ligase Mdm2 [1-188]


(Homo sapiens (Human))
BDBM427156
PNG
(4-{[(1R)-1-(4-chlorophenyl)-7-fluoro-5-[I-hydroxy-...)
Show SMILES CC[C@@](O)(c1cn(C)cn1)c1cc2C(=O)N(Cc3ccc(cc3)C#N)[C@](O[C@H]3CCOC3)(c2c(F)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C33H30ClFN4O4/c1-3-32(41,29-18-38(2)20-37-29)24-14-27-30(28(35)15-24)33(43-26-12-13-42-19-26,23-8-10-25(34)11-9-23)39(31(27)40)17-22-6-4-21(16-36)5-7-22/h4-11,14-15,18,20,26,41H,3,12-13,17,19H2,1-2H3/t26-,32-,33+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.640n/an/an/an/an/an/a



ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED

US Patent


Assay Description
The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...


US Patent US10981898 (2021)

More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM427156
PNG
(4-{[(1R)-1-(4-chlorophenyl)-7-fluoro-5-[I-hydroxy-...)
Show SMILES CC[C@@](O)(c1cn(C)cn1)c1cc2C(=O)N(Cc3ccc(cc3)C#N)[C@](O[C@H]3CCOC3)(c2c(F)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C33H30ClFN4O4/c1-3-32(41,29-18-38(2)20-37-29)24-14-27-30(28(35)15-24)33(43-26-12-13-42-19-26,23-8-10-25(34)11-9-23)39(31(27)40)17-22-6-4-21(16-36)5-7-22/h4-11,14-15,18,20,26,41H,3,12-13,17,19H2,1-2H3/t26-,32-,33+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.640n/an/an/an/an/an/a



ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED

US Patent


Assay Description
The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...


US Patent US10544132 (2020)


BindingDB Entry DOI: 10.7270/Q27H1N06
More data for this
Ligand-Target Pair