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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 475.6
BDBM50556006

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
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-5


(Homo sapiens (Human))
BDBM50556006
PNG
(CHEMBL4779568)
Show SMILES OC(=O)C[C@H](C(=O)N1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(c1)C1CCCC1 |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 13n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of integrin alphavbeta5 (unknown origin) by fluorescence polarization assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112719
BindingDB Entry DOI: 10.7270/Q2K93C6C
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50556006
PNG
(CHEMBL4779568)
Show SMILES OC(=O)C[C@H](C(=O)N1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(c1)C1CCCC1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.51E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of integrin alphavbeta3 (unknown origin) by fluorescence polarization assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112719
BindingDB Entry DOI: 10.7270/Q2K93C6C
More data for this
Ligand-Target Pair