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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 = 'BDBM50127955'   
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))		BDBM50127955
PNG
(3-(2-{2-Oxo-6-propyl-3-[(5,6,7,8-tetrahydro-[1,8]n...)
Show SMILES CCCc1ccc(NCc2ccc3CCCNc3n2)c(=O)n1CC(=O)N[C@@H](CC(O)=O)c1cccnc1
Show InChI InChI=1S/C27H32N6O4/c1-2-5-21-10-11-22(30-16-20-9-8-18-6-4-13-29-26(18)31-20)27(37)33(21)17-24(34)32-23(14-25(35)36)19-7-3-12-28-15-19/h3,7-12,15,23,30H,2,4-6,13-14,16-17H2,1H3,(H,29,31)(H,32,34)(H,35,36)/t23-/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