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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 50101777   
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))
BDBM50101777
PNG
((2S)-2-{[(benzyloxy)carbonyl]amino}-3-({5-[2-(carb...)
Show SMILES NC(=N)NC(=O)CCc1ccc(s1)C(=O)NC[C@H](NC(=O)OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C20H23N5O6S/c21-19(22)25-16(26)9-7-13-6-8-15(32-13)17(27)23-10-14(18(28)29)24-20(30)31-11-12-4-2-1-3-5-12/h1-6,8,14H,7,9-11H2,(H,23,27)(H,24,30)(H,28,29)(H4,21,22,25,26)/t14-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 39n/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))
BDBM50101777
PNG
((2S)-2-{[(benzyloxy)carbonyl]amino}-3-({5-[2-(carb...)
Show SMILES NC(=N)NC(=O)CCc1ccc(s1)C(=O)NC[C@H](NC(=O)OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C20H23N5O6S/c21-19(22)25-16(26)9-7-13-6-8-15(32-13)17(27)23-10-14(18(28)29)24-20(30)31-11-12-4-2-1-3-5-12/h1-6,8,14H,7,9-11H2,(H,23,27)(H,24,30)(H,28,29)(H4,21,22,25,26)/t14-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 837n/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
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50101777
PNG
((2S)-2-{[(benzyloxy)carbonyl]amino}-3-({5-[2-(carb...)
Show SMILES NC(=N)NC(=O)CCc1ccc(s1)C(=O)NC[C@H](NC(=O)OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C20H23N5O6S/c21-19(22)25-16(26)9-7-13-6-8-15(32-13)17(27)23-10-14(18(28)29)24-20(30)31-11-12-4-2-1-3-5-12/h1-6,8,14H,7,9-11H2,(H,23,27)(H,24,30)(H,28,29)(H4,21,22,25,26)/t14-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 2.90E+3n/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