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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50078440   
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))
BDBM50078440
PNG
((S)-2-Benzenesulfonylamino-3-{[5-(2-piperidin-4-yl...)
Show SMILES OC(=O)[C@H](CNC(=O)c1cc2cc(CCC3CCNCC3)sc2s1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C23H27N3O5S3/c27-21(25-14-19(22(28)29)26-34(30,31)18-4-2-1-3-5-18)20-13-16-12-17(32-23(16)33-20)7-6-15-8-10-24-11-9-15/h1-5,12-13,15,19,24,26H,6-11,14H2,(H,25,27)(H,28,29)/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
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PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 8n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Competition with [1251]L-692,884 for binding to purified alpha IIb/beta3 integrin, activated by coating onto yttrium silicate scintillation proximity...


Bioorg Med Chem Lett 10: 1943-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GB2380
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50078440
PNG
((S)-2-Benzenesulfonylamino-3-{[5-(2-piperidin-4-yl...)
Show SMILES OC(=O)[C@H](CNC(=O)c1cc2cc(CCC3CCNCC3)sc2s1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C23H27N3O5S3/c27-21(25-14-19(22(28)29)26-34(30,31)18-4-2-1-3-5-18)20-13-16-12-17(32-23(16)33-20)7-6-15-8-10-24-11-9-15/h1-5,12-13,15,19,24,26H,6-11,14H2,(H,25,27)(H,28,29)/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
The compound was tested in vivo for the inhibition of aggregation of human gel-filtered platelets(GFP)


J Med Chem 42: 2409-21 (1999)


Article DOI: 10.1021/jm980722p
BindingDB Entry DOI: 10.7270/Q2HH6J8X
More data for this
Ligand-Target Pair