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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'ITGAV/ITGB3' and Ligand = 'BDBM50101763'   
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))
BDBM50101763
PNG
((S)-2-(3-Chloro-propane-1-sulfonylamino)-3-({5-[2-...)
Show SMILES OC(=O)[C@H](CNC(=O)c1ccc(CCC(=O)NC2=NCCCN2)s1)NS(=O)(=O)CCCCl |t:17|
Show InChI InChI=1S/C18H26ClN5O6S2/c19-7-1-10-32(29,30)24-13(17(27)28)11-22-16(26)14-5-3-12(31-14)4-6-15(25)23-18-20-8-2-9-21-18/h3,5,13,24H,1-2,4,6-11H2,(H,22,26)(H,27,28)(H2,20,21,23,25)/t13-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 2n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Concentration required to reduce binding of Kistrin to Vitronectin receptor (alpha V beta 3) 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))
BDBM50101763
PNG
((S)-2-(3-Chloro-propane-1-sulfonylamino)-3-({5-[2-...)
Show SMILES OC(=O)[C@H](CNC(=O)c1ccc(CCC(=O)NC2=NCCCN2)s1)NS(=O)(=O)CCCCl |t:17|
Show InChI InChI=1S/C18H26ClN5O6S2/c19-7-1-10-32(29,30)24-13(17(27)28)11-22-16(26)14-5-3-12(31-14)4-6-15(25)23-18-20-8-2-9-21-18/h3,5,13,24H,1-2,4,6-11H2,(H,22,26)(H,27,28)(H2,20,21,23,25)/t13-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 91n/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