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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 = 'BDBM50140178'   
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))
BDBM50140178
PNG
(CHEMBL3754350)
Show SMILES [H][C@@]12C[C@]11N(CC[C@@]2([H])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)29-6-4-11-10-8-21(10,29)18(35)28-12(3-2-5-24-19(22)23)16(33)25-9-14(30)26-13(7-15(31)32)17(34)27-11/h10-13H,2-9H2,1H3,(H,25,33)(H,26,30)(H,27,34)(H,28,35)(H,31,32)(H4,22,23,24)/t10-,11+,12-,13-,21-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.40n/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