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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for monomerid = 50287986   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50287986
PNG
(CHEMBL4164619)
Show SMILES NC(=N)Nc1cccc(c1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)NCCc1ccccc1 |r|
Show InChI InChI=1S/C22H26N6O5/c23-22(24)27-16-8-4-7-15(11-16)20(32)26-13-18(29)28-17(12-19(30)31)21(33)25-10-9-14-5-2-1-3-6-14/h1-8,11,17H,9-10,12-13H2,(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
Article
PubMed
n/an/a 2.80n/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
Integrin alpha-5/beta-1


(Homo sapiens (Human))
BDBM50287986
PNG
(CHEMBL4164619)
Show SMILES NC(=N)Nc1cccc(c1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)NCCc1ccccc1 |r|
Show InChI InChI=1S/C22H26N6O5/c23-22(24)27-16-8-4-7-15(11-16)20(32)26-13-18(29)28-17(12-19(30)31)21(33)25-10-9-14-5-2-1-3-6-14/h1-8,11,17H,9-10,12-13H2,(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
Article
PubMed
n/an/a 28n/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
Protein Mdm4


(Homo sapiens (Human))
BDBM50287986
PNG
(CHEMBL4164619)
Show SMILES NC(=N)Nc1cccc(c1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)NCCc1ccccc1 |r|
Show InChI InChI=1S/C22H26N6O5/c23-22(24)27-16-8-4-7-15(11-16)20(32)26-13-18(29)28-17(12-19(30)31)21(33)25-10-9-14-5-2-1-3-6-14/h1-8,11,17H,9-10,12-13H2,(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
Article
PubMed
n/an/a 219n/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
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50287986
PNG
(CHEMBL4164619)
Show SMILES NC(=N)Nc1cccc(c1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)NCCc1ccccc1 |r|
Show InChI InChI=1S/C22H26N6O5/c23-22(24)27-16-8-4-7-15(11-16)20(32)26-13-18(29)28-17(12-19(30)31)21(33)25-10-9-14-5-2-1-3-6-14/h1-8,11,17H,9-10,12-13H2,(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
Article
PubMed
n/an/a 437n/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