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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'ITGAV/ITGB3' and Ligand = 'BDBM50101754'   
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))
BDBM50101754
PNG
((S)-2-Methanesulfonylamino-3-({5-[2-(1,4,5,6-tetra...)
Show SMILES CS(=O)(=O)N[C@@H](CNC(=O)c1ccc(CCC(=O)NC2=NCCCN2)s1)C(O)=O |t:19|
Show InChI InChI=1S/C16H23N5O6S2/c1-29(26,27)21-11(15(24)25)9-19-14(23)12-5-3-10(28-12)4-6-13(22)20-16-17-7-2-8-18-16/h3,5,11,21H,2,4,6-9H2,1H3,(H,19,23)(H,24,25)(H2,17,18,20,22)/t11-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 5n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Concentration required to reduce binding of human 293 cell attachment to immobilized vitronectin receptor(Vn/293) by 50%


Bioorg Med Chem Lett 11: 2011-5 (2001)


BindingDB Entry DOI: 10.7270/Q2N87930
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50101754
PNG
((S)-2-Methanesulfonylamino-3-({5-[2-(1,4,5,6-tetra...)
Show SMILES CS(=O)(=O)N[C@@H](CNC(=O)c1ccc(CCC(=O)NC2=NCCCN2)s1)C(O)=O |t:19|
Show InChI InChI=1S/C16H23N5O6S2/c1-29(26,27)21-11(15(24)25)9-19-14(23)12-5-3-10(28-12)4-6-13(22)20-16-17-7-2-8-18-16/h3,5,11,21H,2,4,6-9H2,1H3,(H,19,23)(H,24,25)(H2,17,18,20,22)/t11-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 69n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Concentration required to reduce binding of fibrinogen (Fg) to alpha IIb beta3 integrin by 50%


Bioorg Med Chem Lett 11: 2011-5 (2001)


BindingDB Entry DOI: 10.7270/Q2N87930
More data for this
Ligand-Target Pair