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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-3' and Ligand = 'BDBM50127952'   
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-V/beta-3


(Homo sapiens (Human))		BDBM50127952
PNG
((S)-3-(2-{5-Chloro-6-methyl-2-oxo-3-[(5,6,7,8-tetr...)
Show SMILES Cc1c(Cl)nc(NCc2ccc3CCCNc3n2)c(=O)n1CC(=O)N[C@@H](CC(O)=O)c1cccc(F)c1
Show InChI InChI=1S/C25H26ClFN6O4/c1-14-22(26)32-24(29-12-18-8-7-15-5-3-9-28-23(15)30-18)25(37)33(14)13-20(34)31-19(11-21(35)36)16-4-2-6-17(27)10-16/h2,4,6-8,10,19H,3,5,9,11-13H2,1H3,(H,28,30)(H,29,32)(H,31,34)(H,35,36)/t19-/m0/s1
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Similars
PubMed
n/an/a 2.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to bind to the alpha IIb beta3 integrin expressed as inhibitory concentration against ADP-stimulated aggregation of human gel-filtered platel...

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


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