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SMILES: CN1CCNc2nc(CCCc3nc(CC(CC(O)=O)c4ccc5OCOc5c4)cs3)ccc12

InChI Key: InChIKey=XIHAPPZUKXNKFE-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50178254   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/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))		BDBM50178254
PNG
(3-(benzo[d][1,3]dioxol-5-yl)-4-(2-(3-(1-methyl-1,2...)
Show SMILES CN1CCNc2nc(CCCc3nc(CC(CC(O)=O)c4ccc5OCOc5c4)cs3)ccc12
Show InChI InChI=1S/C25H28N4O4S/c1-29-10-9-26-25-20(29)7-6-18(28-25)3-2-4-23-27-19(14-34-23)11-17(13-24(30)31)16-5-8-21-22(12-16)33-15-32-21/h5-8,12,14,17H,2-4,9-11,13,15H2,1H3,(H,26,28)(H,30,31)
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Article
PubMed
n/an/a 0.610n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Integrin alphaV Beta3 receptor by solid-phase receptor binding assay

Bioorg Med Chem Lett 16: 845-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.017
BindingDB Entry DOI: 10.7270/Q2PN956J
More data for this
Ligand-Target Pair