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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-5/beta-1' and Ligand = 'BDBM50505775'   
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-5/beta-1


(Homo sapiens (Human))
BDBM50505775
PNG
(CHEMBL4442651)
Show SMILES Cc1ccccc1NC(=O)N1CCC[C@H]1C(O)=O |r|
Show InChI InChI=1S/C13H16N2O3/c1-9-5-2-3-6-10(9)14-13(18)15-8-4-7-11(15)12(16)17/h2-3,5-6,11H,4,7-8H2,1H3,(H,14,18)(H,16,17)/t11-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 136n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Binding affinity to alpha5beta1 integrin receptor (unknown origin) incubated fro 30 mins by competitive solid-phase binding assay


J Med Chem 62: 10156-10166 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01000
BindingDB Entry DOI: 10.7270/Q2FB567M
More data for this
Ligand-Target Pair
Integrin alpha-5/beta-1


(Homo sapiens (Human))
BDBM50505775
PNG
(CHEMBL4442651)
Show SMILES Cc1ccccc1NC(=O)N1CCC[C@H]1C(O)=O |r|
Show InChI InChI=1S/C13H16N2O3/c1-9-5-2-3-6-10(9)14-13(18)15-8-4-7-11(15)12(16)17/h2-3,5-6,11H,4,7-8H2,1H3,(H,14,18)(H,16,17)/t11-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 140n/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Agonist activity at alpha5beta1 integrin receptor in human K562 cells assessed as increase in fibronectin-induced cell adhesion pre-incubated for 30 ...


J Med Chem 62: 10156-10166 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01000
BindingDB Entry DOI: 10.7270/Q2FB567M
More data for this
Ligand-Target Pair