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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 = 'BDBM50082927'   
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))
BDBM50082927
PNG
(CHEMBL344117 | [6-(4-Carbamimidoyl-benzyloxy)-1-ox...)
Show SMILES NC(=N)c1ccc(COc2ccc3C(=O)C(CC(O)=O)CCc3c2)cc1
Show InChI InChI=1S/C20H20N2O4/c21-20(22)13-3-1-12(2-4-13)11-26-16-7-8-17-14(9-16)5-6-15(19(17)25)10-18(23)24/h1-4,7-9,15H,5-6,10-11H2,(H3,21,22)(H,23,24)
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 27n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to purified human alpha IIb beta3 integrin (GP IIb-IIIa)


J Med Chem 42: 4875-89 (1999)


BindingDB Entry DOI: 10.7270/Q2NC60DZ
More data for this
Ligand-Target Pair