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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 518.5
BDBM50370765

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

Found 1 hit 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-2/beta-3


(Homo sapiens (Human))
BDBM50370765
PNG
(CHEMBL219051)
Show SMILES COc1ccc(cc1)C(CC(O)=O)NC(=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Nc1ccc2CCNCc2c1
Show InChI InChI=1S/C27H26N4O7/c1-38-23-6-3-17(4-7-23)24(14-25(32)33)30-27(35)19-10-18(12-22(13-19)31(36)37)26(34)29-21-5-2-16-8-9-28-15-20(16)11-21/h2-7,10-13,24,28H,8-9,14-15H2,1H3,(H,29,34)(H,30,35)(H,32,33)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5n/an/an/an/an/an/a



A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Displacement of FITC-Fg from integrin alpha2beta3 receptor expressed in human activated platelets


Bioorg Med Chem Lett 16: 5294-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.090
BindingDB Entry DOI: 10.7270/Q2MW2HZP
More data for this
Ligand-Target Pair