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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50004068'   
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-IIb/beta-3


(Homo sapiens (Human))
BDBM50004068
PNG
((S)-2-Benzyloxycarbonylamino-3-[4-(3-phenyl-propox...)
Show SMILES OC(=O)[C@H](Cc1ccc(OCCCc2ccccc2)cc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C26H27NO5/c28-25(29)24(27-26(30)32-19-22-10-5-2-6-11-22)18-21-13-15-23(16-14-21)31-17-7-12-20-8-3-1-4-9-20/h1-6,8-11,13-16,24H,7,12,17-19H2,(H,27,30)(H,28,29)/t24-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of ADP-mediated human gel filtered platelet aggregation.


J Med Chem 35: 4640-2 (1993)


Article DOI: 10.1021/jm00102a020
BindingDB Entry DOI: 10.7270/Q2SF2V44
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50004068
PNG
((S)-2-Benzyloxycarbonylamino-3-[4-(3-phenyl-propox...)
Show SMILES OC(=O)[C@H](Cc1ccc(OCCCc2ccccc2)cc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C26H27NO5/c28-25(29)24(27-26(30)32-19-22-10-5-2-6-11-22)18-21-13-15-23(16-14-21)31-17-7-12-20-8-3-1-4-9-20/h1-6,8-11,13-16,24H,7,12,17-19H2,(H,27,30)(H,28,29)/t24-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .


J Med Chem 37: 2537-51 (1994)


Article DOI: 10.1021/jm00042a007
BindingDB Entry DOI: 10.7270/Q2N878VF
More data for this
Ligand-Target Pair