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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 = 'BDBM50127949'   
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))		BDBM50127949
PNG
(3-(S)-Pyridin-3-yl-3-(2-{5-[2-(5,6,7,8-tetrahydro-...)
Show SMILES OC(=O)C[C@H](NC(=O)Cc1ccc(CCc2ccc3CCCNc3n2)s1)c1cccnc1
Show InChI InChI=1S/C24H26N4O3S/c29-22(28-21(14-23(30)31)17-4-1-11-25-15-17)13-20-10-9-19(32-20)8-7-18-6-5-16-3-2-12-26-24(16)27-18/h1,4-6,9-11,15,21H,2-3,7-8,12-14H2,(H,26,27)(H,28,29)(H,30,31)/t21-/m0/s1
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PC cid
PC sid
UniChem
PubMed
n/an/a 246n/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