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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50100360'   
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))
BDBM50100360
PNG
((S)-2-(Butane-1-sulfonylamino)-3-[(3-pyridin-4-yl-...)
Show SMILES CCCCS(=O)(=O)N[C@@H](CNC(=O)C1CCC2(CC1)CCN(CC2)c1ccncc1)C(O)=O
Show InChI InChI=1S/C23H36N4O5S/c1-2-3-16-33(31,32)26-20(22(29)30)17-25-21(28)18-4-8-23(9-5-18)10-14-27(15-11-23)19-6-12-24-13-7-19/h6-7,12-13,18,20,26H,2-5,8-11,14-17H2,1H3,(H,25,28)(H,29,30)/t20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 3n/an/an/an/an/an/a



COR Therapeutics, Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against blockage of binding of fibrinogen to purified human GPIIbIIIa


Bioorg Med Chem Lett 11: 1293-6 (2001)


BindingDB Entry DOI: 10.7270/Q2Z037DQ
More data for this
Ligand-Target Pair