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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ITGAV/ITGB3' and Ligand = 'BDBM50376405'   
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
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50376405
PNG
(CHEMBL408195)
Show SMILES NC(N)=NCCC[C@@H]1NC(=O)[C@@]23CCCN2C(=O)[C@H](C3)NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O
Show InChI InChI=1S/C20H30N8O7/c21-19(22)23-5-1-3-10-15(32)24-9-13(29)25-11(7-14(30)31)16(33)26-12-8-20(18(35)27-10)4-2-6-28(20)17(12)34/h10-12H,1-9H2,(H,24,32)(H,25,29)(H,26,33)(H,27,35)(H,30,31)(H4,21,22,23)/t10-,11-,12-,20-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 34.4n/an/an/an/an/an/a



Department of Organic Chemistry Ugo Schiff University of Firenze via della Lastruccia 13

Curated by ChEMBL


Assay Description
Displacement of [125I]echistatin from human placental integrin alphaVbeta3 receptor


Bioorg Med Chem 16: 4262-71 (2008)


Article DOI: 10.1016/j.bmc.2008.02.080
BindingDB Entry DOI: 10.7270/Q2T72J9W
More data for this
Ligand-Target Pair