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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'ITGAV/ITGB3' and Ligand = 'BDBM50101780'   
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))
BDBM50101780
PNG
(3-Benzo[1,3]dioxol-5-yl-3-({5-[2-(1,4,5,6-tetrahyd...)
Show SMILES NC(=N)NC(=O)CCc1ccc(s1)C(=O)NC(CC(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C19H20N4O6S/c20-19(21)23-16(24)6-3-11-2-5-15(30-11)18(27)22-12(8-17(25)26)10-1-4-13-14(7-10)29-9-28-13/h1-2,4-5,7,12H,3,6,8-9H2,(H,22,27)(H,25,26)(H4,20,21,23,24)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 33n/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
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50101780
PNG
(3-Benzo[1,3]dioxol-5-yl-3-({5-[2-(1,4,5,6-tetrahyd...)
Show SMILES NC(=N)NC(=O)CCc1ccc(s1)C(=O)NC(CC(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C19H20N4O6S/c20-19(21)23-16(24)6-3-11-2-5-15(30-11)18(27)22-12(8-17(25)26)10-1-4-13-14(7-10)29-9-28-13/h1-2,4-5,7,12H,3,6,8-9H2,(H,22,27)(H,25,26)(H4,20,21,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a>1.00E+4n/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