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BDBM50287687 CHEMBL4163281

SMILES: COc1ccc(CNC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)c2cccc(NC(N)=N)c2)cc1

InChI Key: InChIKey=MIFZAPHWMCAHQZ-KRWDZBQOSA-N

Data: 4 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 4 hits for monomerid = 50287687   
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
MDM2-MDMX


(Homo sapiens (Human))
BDBM50287687
PNG
(CHEMBL4163281)
Show SMILES COc1ccc(CNC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)c2cccc(NC(N)=N)c2)cc1 |r|
Show InChI InChI=1S/C22H26N6O6/c1-34-16-7-5-13(6-8-16)11-25-21(33)17(10-19(30)31)28-18(29)12-26-20(32)14-3-2-4-15(9-14)27-22(23)24/h2-9,17H,10-12H2,1H3,(H,25,33)(H,26,32)(H,28,29)(H,30,31)(H4,23,24,27)/t17-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 720n/an/an/an/an/an/a



Universit£ degli Studi di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Displacement of p53 from MDM2 in human U87MG cells incubated for 10 mins by sandwich ELISA method


J Med Chem 61: 4791-4809 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00004
BindingDB Entry DOI: 10.7270/Q22J6FCB
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50287687
PNG
(CHEMBL4163281)
Show SMILES COc1ccc(CNC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)c2cccc(NC(N)=N)c2)cc1 |r|
Show InChI InChI=1S/C22H26N6O6/c1-34-16-7-5-13(6-8-16)11-25-21(33)17(10-19(30)31)28-18(29)12-26-20(32)14-3-2-4-15(9-14)27-22(23)24/h2-9,17H,10-12H2,1H3,(H,25,33)(H,26,32)(H,28,29)(H,30,31)(H4,23,24,27)/t17-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a



Universit£ degli Studi di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of vitronectin binding to human alphaVbeta3 integrin after 1 hr by ELISA


J Med Chem 61: 4791-4809 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00004
BindingDB Entry DOI: 10.7270/Q22J6FCB
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (Human))
BDBM50287687
PNG
(CHEMBL4163281)
Show SMILES COc1ccc(CNC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)c2cccc(NC(N)=N)c2)cc1 |r|
Show InChI InChI=1S/C22H26N6O6/c1-34-16-7-5-13(6-8-16)11-25-21(33)17(10-19(30)31)28-18(29)12-26-20(32)14-3-2-4-15(9-14)27-22(23)24/h2-9,17H,10-12H2,1H3,(H,25,33)(H,26,32)(H,28,29)(H,30,31)(H4,23,24,27)/t17-/m0/s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Universit£ degli Studi di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Displacement of p53 from MDM4 in human SHSY-5Y cells incubated for 10 mins by sandwich ELISA method


J Med Chem 61: 4791-4809 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00004
BindingDB Entry DOI: 10.7270/Q22J6FCB
More data for this
Ligand-Target Pair
ITGA5/ITGB1


(Homo sapiens (Human))
BDBM50287687
PNG
(CHEMBL4163281)
Show SMILES COc1ccc(CNC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)c2cccc(NC(N)=N)c2)cc1 |r|
Show InChI InChI=1S/C22H26N6O6/c1-34-16-7-5-13(6-8-16)11-25-21(33)17(10-19(30)31)28-18(29)12-26-20(32)14-3-2-4-15(9-14)27-22(23)24/h2-9,17H,10-12H2,1H3,(H,25,33)(H,26,32)(H,28,29)(H,30,31)(H4,23,24,27)/t17-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Universit£ degli Studi di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of fibronectin binding to soluble alpha5beta1 integrin (unknown origin) after 1 hr by ELISA


J Med Chem 61: 4791-4809 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00004
BindingDB Entry DOI: 10.7270/Q22J6FCB
More data for this
Ligand-Target Pair