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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 = 'BDBM50083774'   
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))		BDBM50083774
PNG
(3-({5-[4-(4,5-Dihydro-1H-imidazol-2-ylamino)-butyl...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)C1=NOC(CCCCNC2=NCCN2)C1)C(O)=O |t:19,28|
Show InChI InChI=1S/C23H34N6O6S/c1-14-10-15(2)20(16(3)11-14)36(33,34)29-19(22(31)32)13-27-21(30)18-12-17(35-28-18)6-4-5-7-24-23-25-8-9-26-23/h10-11,17,19,29H,4-9,12-13H2,1-3H3,(H,27,30)(H,31,32)(H2,24,25,26)/t17?,19-/m0/s1
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Similars
PubMed
n/an/a 62n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of vitronectin receptor (alpha V beta 3), expressed on human 293 cells, binding to immobilized fibrinogen

J Med Chem 43: 27-40 (2000)


BindingDB Entry DOI: 10.7270/Q2571B77
More data for this
Ligand-Target Pair