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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 407.4
BDBM50354351

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))
BDBM50354351
PNG
(CHEMBL1836345)
Show SMILES OC(=O)CCN1Cc2ccc(NC(=O)c3ccc(cc3)C3CCNCC3)cc2C1=O
Show InChI InChI=1S/C23H25N3O4/c27-21(28)9-12-26-14-18-5-6-19(13-20(18)23(26)30)25-22(29)17-3-1-15(2-4-17)16-7-10-24-11-8-16/h1-6,13,16,24H,7-12,14H2,(H,25,29)(H,27,28)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.80n/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))
BDBM50354351
PNG
(CHEMBL1836345)
Show SMILES OC(=O)CCN1Cc2ccc(NC(=O)c3ccc(cc3)C3CCNCC3)cc2C1=O
Show InChI InChI=1S/C23H25N3O4/c27-21(28)9-12-26-14-18-5-6-19(13-20(18)23(26)30)25-22(29)17-3-1-15(2-4-17)16-7-10-24-11-8-16/h1-6,13,16,24H,7-12,14H2,(H,25,29)(H,27,28)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 6.80n/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