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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 = 'BDBM50127953'   
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))		BDBM50127953
PNG
((S)-3-(2-{5-Chloro-6-ethyl-2-oxo-3-[(5,6,7,8-tetra...)
Show SMILES CCc1c(Cl)nc(NCc2ccc3CCCNc3n2)c(=O)n1CC(=O)N[C@@H](CC(O)=O)c1cccc(F)c1
Show InChI InChI=1S/C26H28ClFN6O4/c1-2-20-23(27)33-25(30-13-18-9-8-15-6-4-10-29-24(15)31-18)26(38)34(20)14-21(35)32-19(12-22(36)37)16-5-3-7-17(28)11-16/h3,5,7-9,11,19H,2,4,6,10,12-14H2,1H3,(H,29,31)(H,30,33)(H,32,35)(H,36,37)/t19-/m0/s1
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PC cid
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Similars
PubMed
n/an/a>3.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to bind to the Alpha 2 Beta 3 integrin expressed as inhibitory concentration against ADP-stimulated aggregation of human gel-filtered platele...

Bioorg Med Chem Lett 13: 1809-12 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8CVB
More data for this
Ligand-Target Pair