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SMILES: CC(C)[C@@H]1\C=C\[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O

InChI Key: InChIKey=VTLYACZOFKLVKB-VHPXDQJFSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50286288   
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))		BDBM50286288
PNG
(CHEMBL4159636)
Show SMILES CC(C)[C@@H]1\C=C\[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O |r,t:4|
Show InChI InChI=1S/C27H39N7O6/c1-16(2)19-11-10-18(13-17-7-4-3-5-8-17)32-26(40)21(14-23(36)37)33-22(35)15-31-25(39)20(34-24(19)38)9-6-12-30-27(28)29/h3-5,7-8,10-11,16,18-21H,6,9,12-15H2,1-2H3,(H,31,39)(H,32,40)(H,33,35)(H,34,38)(H,36,37)(H4,28,29,30)/b11-10+/t18-,19-,20-,21-/m0/s1
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Similars
Article
PubMed
n/an/a 3.60n/an/an/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Inhibition of vitronectin binding to human integrin alphaVbeta3 measured after 4 hrs by ELISA

ACS Med Chem Lett 9: 6-10 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00234
BindingDB Entry DOI: 10.7270/Q2S75JVW
More data for this
Ligand-Target Pair