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BDBM50085018 3-(2-{(S)-4-[3-(1H-Benzoimidazol-2-ylamino)-propyl]-2,5-dioxo-imidazolidin-1-yl}-acetylamino)-2-benzyloxycarbonylamino-propionic acid anion

SMILES: Oc1c(CCCNc2nc3ccccc3[nH]2)[nH]c(=O)n1CC(=O)NCC(NC(=O)OCc1ccccc1)C([O-])=O

InChI Key: InChIKey=FOAUJULKLPCXDL-UHFFFAOYSA-M

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50085018   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50085018
PNG
(3-(2-{(S)-4-[3-(1H-Benzoimidazol-2-ylamino)-propyl...)
Show SMILES Oc1c(CCCNc2nc3ccccc3[nH]2)[nH]c(=O)n1CC(=O)NCC(NC(=O)OCc1ccccc1)C([O-])=O
Show InChI InChI=1S/C26H29N7O7/c34-21(28-13-20(23(36)37)32-26(39)40-15-16-7-2-1-3-8-16)14-33-22(35)19(31-25(33)38)11-6-12-27-24-29-17-9-4-5-10-18(17)30-24/h1-5,7-10,20,35H,6,11-15H2,(H,28,34)(H,31,38)(H,32,39)(H,36,37)(H2,27,29,30)/p-1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Hoechst Marion Roussel Deutschland GmhH

Curated by ChEMBL


Assay Description
Inhibition of Kistrin binding to integrin alphaV-beta3


Bioorg Med Chem Lett 10: 179-82 (2000)


BindingDB Entry DOI: 10.7270/Q290249V
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50085018
PNG
(3-(2-{(S)-4-[3-(1H-Benzoimidazol-2-ylamino)-propyl...)
Show SMILES Oc1c(CCCNc2nc3ccccc3[nH]2)[nH]c(=O)n1CC(=O)NCC(NC(=O)OCc1ccccc1)C([O-])=O
Show InChI InChI=1S/C26H29N7O7/c34-21(28-13-20(23(36)37)32-26(39)40-15-16-7-2-1-3-8-16)14-33-22(35)19(31-25(33)38)11-6-12-27-24-29-17-9-4-5-10-18(17)30-24/h1-5,7-10,20,35H,6,11-15H2,(H,28,34)(H,31,38)(H,32,39)(H,36,37)(H2,27,29,30)/p-1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 40n/an/an/an/an/an/a



Hoechst Marion Roussel Deutschland GmhH

Curated by ChEMBL


Assay Description
Inhibition of Kistrin binding to integrin alphaV-beta3


Bioorg Med Chem Lett 10: 179-82 (2000)


BindingDB Entry DOI: 10.7270/Q290249V
More data for this
Ligand-Target Pair