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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 = 'BDBM50140179'   
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))		BDBM50140179
PNG
(CHEMBL3753748)
Show SMILES [H][C@]12C[C@@]11N(C[C@@]([H])(C2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)OC |r|
Show InChI InChI=1S/C21H32N8O8/c1-37-20(36)29-9-11-5-10-7-21(10,29)18(35)28-12(3-2-4-24-19(22)23)16(33)25-8-14(30)27-13(6-15(31)32)17(34)26-11/h10-13H,2-9H2,1H3,(H,25,33)(H,26,34)(H,27,30)(H,28,35)(H,31,32)(H4,22,23,24)/t10-,11+,12-,13-,21+/m0/s1
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n/an/a 34n/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Binding affinity to integrin alphav/beta3 heterodimer in human M21 cells assessed as inhibition of integrin-mediated human M21 cell adhesion to vitro...

Bioorg Med Chem 24: 703-11 (2016)


Article DOI: 10.1016/j.bmc.2015.12.039
BindingDB Entry DOI: 10.7270/Q2KD20S3
More data for this
Ligand-Target Pair