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SMILES: CC(C)[C@@H]1\C(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=JYENEFWTARBUPP-BCJWJASASA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50286289   
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))		BDBM50286289
PNG
(CHEMBL4166054)
Show SMILES CC(C)[C@@H]1\C(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:5|
Show InChI InChI=1S/C28H41N7O6/c1-16(2)24-17(3)12-19(13-18-8-5-4-6-9-18)33-26(40)21(14-23(37)38)34-22(36)15-32-25(39)20(35-27(24)41)10-7-11-31-28(29)30/h4-6,8-9,12,16,19-21,24H,7,10-11,13-15H2,1-3H3,(H,32,39)(H,33,40)(H,34,36)(H,35,41)(H,37,38)(H4,29,30,31)/b17-12+/t19-,20-,21-,24+/m0/s1
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PubMed
n/an/a 2.40n/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