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Target
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IC50
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EC50
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Compile Data Set for Download or QSAR
Marvin 2D Structure
The following exact ligands are found in BindingDB
Wt: 265.3
BDBM50124572
Purchase
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
3
hits in this display
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Integrin alpha-IIb/beta-3
(Homo sapiens (Human))
BDBM50124572
(CHEMBL1234739)
Show SMILES
CCc1nn2c(nc(cc2=O)N2CCNCC2)s1
Show InChI
InChI=1S/C11H15N5OS/c1-2-9-14-16-10(17)7-8(13-11(16)18-9)15-5-3-12-4-6-15/h7,12H,2-6H2,1H3
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
PDB
Article
PubMed
n/a
n/a
9.60E+3
n/a
n/a
n/a
n/a
n/a
n/a
Bristol-Myers Squibb Research and Development
Curated by
ChEMBL
Assay Description
Antagonist activity at integrin alpha2b beta3 receptor in citrated human platelet-rich plasma assessed as inhibition of ADP-induced platelets aggrega...
Bioorg Med Chem Lett
27:
5355
-
5372
(2017)
Article DOI:
10.1016/j.bmcl.2017.11.002
BindingDB Entry DOI:
10.7270/Q2W37ZWM
More data for this
Ligand-Target Pair
3D Structure (crystal)
Integrin alpha-IIb/beta-3
(Homo sapiens (Human))
BDBM50124572
(CHEMBL1234739)
Show SMILES
CCc1nn2c(nc(cc2=O)N2CCNCC2)s1
Show InChI
InChI=1S/C11H15N5OS/c1-2-9-14-16-10(17)7-8(13-11(16)18-9)15-5-3-12-4-6-15/h7,12H,2-6H2,1H3
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
PDB
Article
PubMed
n/a
n/a
9.70E+3
n/a
n/a
n/a
n/a
n/a
n/a
University of Strathclyde
Curated by
ChEMBL
Assay Description
Antagonist activity at integrin alpha2b beta3 receptor in citrated human platelet-rich plasma assessed as inhibition of ADP-induced platelets aggrega...
J Med Chem
60:
3241
-
3251
(2017)
Article DOI:
10.1021/acs.jmedchem.6b01711
BindingDB Entry DOI:
10.7270/Q29W0HZ4
More data for this
Ligand-Target Pair
3D Structure (crystal)
Integrin alpha-2/beta-3
(Homo sapiens (Human))
BDBM50124572
(CHEMBL1234739)
Show SMILES
CCc1nn2c(nc(cc2=O)N2CCNCC2)s1
Show InChI
InChI=1S/C11H15N5OS/c1-2-9-14-16-10(17)7-8(13-11(16)18-9)15-5-3-12-4-6-15/h7,12H,2-6H2,1H3
PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
PDB
Article
PubMed
n/a
n/a
1.30E+4
n/a
n/a
n/a
n/a
n/a
n/a
A.V. Bogatsky Physico-Chemical Institute of National Academy of Sciences of Ukraine
Curated by
ChEMBL
Assay Description
Antagonist activity against integrin alpha2bbeta3 in human platelet rich plasma
J Med Chem
58:
7681
-
94
(2015)
Article DOI:
10.1021/acs.jmedchem.5b00865
BindingDB Entry DOI:
10.7270/Q2QN68MB
More data for this
Ligand-Target Pair
3D Structure (crystal)