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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ITGAV/ITGB3' and Ligand = 'BDBM50125304'   
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))
BDBM50125304
PNG
((S)-2-((S)-7,7-Dimethyl-2-oxo-bicyclo[2.2.1]hept-1...)
Show SMILES CCCNC(=O)Nc1cccc(c1)-c1ccc(C[C@H](NS(=O)(=O)C[C@]23CCC(CC2=O)C3(C)C)C(O)=O)cc1 |THB:30:29:31:25.26|
Show InChI InChI=1S/C29H37N3O6S/c1-4-14-30-27(36)31-23-7-5-6-21(16-23)20-10-8-19(9-11-20)15-24(26(34)35)32-39(37,38)18-29-13-12-22(17-25(29)33)28(29,2)3/h5-11,16,22,24,32H,4,12-15,17-18H2,1-3H3,(H,34,35)(H2,30,31,36)/t22?,24-,29+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1n/an/an/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Binding affinity towards vitronectin receptor (alpha V-beta3) was determined


Bioorg Med Chem Lett 13: 1071-4 (2003)


BindingDB Entry DOI: 10.7270/Q2S46T44
More data for this
Ligand-Target Pair