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BDBM50125320 (S)-3-{3'-[3-(1H-Benzoimidazol-2-yl)-ureido]-biphenyl-4-yl}-2-(2,4,6-trimethyl-benzenesulfonylamino)-propionic acid::CHEMBL274673

SMILES: Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(NC(=O)Nc2nc3ccccc3[nH]2)c1)C(O)=O

InChI Key: InChIKey=HICJIQRNSXOPJG-NDEPHWFRSA-N

Data: 1 KI

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50125320   
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
ITGAV/ITGB3


(Homo sapiens (Human))		BDBM50125320
PNG
((S)-3-{3'-[3-(1H-Benzoimidazol-2-yl)-ureido]-biphe...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(NC(=O)Nc2nc3ccccc3[nH]2)c1)C(O)=O
Show InChI InChI=1S/C32H31N5O5S/c1-19-15-20(2)29(21(3)16-19)43(41,42)37-28(30(38)39)17-22-11-13-23(14-12-22)24-7-6-8-25(18-24)33-32(40)36-31-34-26-9-4-5-10-27(26)35-31/h4-16,18,28,37H,17H2,1-3H3,(H,38,39)(H3,33,34,35,36,40)/t28-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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



Bayer AG

Curated by ChEMBL


Assay Description
Binding affinity towards vitronectin receptor (alpha V-beta3) was determined

Bioorg Med Chem Lett 13: 1071-4 (2003)


BindingDB Entry DOI: 10.7270/Q2S46T44
More data for this
Ligand-Target Pair