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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 393.4
BDBM50354348

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-2/beta-3


(Homo sapiens (Human))
BDBM50354348
PNG
(CHEMBL1836342)
Show SMILES OC(=O)CN1Cc2ccc(NC(=O)c3ccc(cc3)C3CCNCC3)cc2C1=O
Show InChI InChI=1S/C22H23N3O4/c26-20(27)13-25-12-17-5-6-18(11-19(17)22(25)29)24-21(28)16-3-1-14(2-4-16)15-7-9-23-10-8-15/h1-6,11,15,23H,7-10,12-13H2,(H,24,28)(H,26,27)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 270n/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-labeled fibrinogen from alpha2beta3 in human platelets


Bioorg Med Chem Lett 21: 5971-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.063
BindingDB Entry DOI: 10.7270/Q26Q1XNS
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50354348
PNG
(CHEMBL1836342)
Show SMILES OC(=O)CN1Cc2ccc(NC(=O)c3ccc(cc3)C3CCNCC3)cc2C1=O
Show InChI InChI=1S/C22H23N3O4/c26-20(27)13-25-12-17-5-6-18(11-19(17)22(25)29)24-21(28)16-3-1-14(2-4-16)15-7-9-23-10-8-15/h1-6,11,15,23H,7-10,12-13H2,(H,24,28)(H,26,27)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 270n/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
Inhibition of FITC-labeled fibrinogen binding to integrin alpha2bbeta3 receptor in human platelets by flow cytometry


Bioorg Med Chem 21: 4646-61 (2013)


Article DOI: 10.1016/j.bmc.2013.05.019
BindingDB Entry DOI: 10.7270/Q2Q81FGX
More data for this
Ligand-Target Pair