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BDBM50108468 3-{3'-[(1H-Benzoimidazol-2-ylamino)-methyl]-4-methoxy-biphenyl-3-sulfonylamino}-3-phenyl-propionic acid::CHEMBL61899

SMILES: COc1ccc(cc1S(=O)(=O)NC(CC(O)=O)c1ccccc1)-c1cccc(CNc2nc3ccccc3[nH]2)c1

InChI Key: InChIKey=VEMWYUREVHTDDI-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50108468   
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-V/beta-3


(Homo sapiens (Human))		BDBM50108468
PNG
(3-{3'-[(1H-Benzoimidazol-2-ylamino)-methyl]-4-meth...)
Show SMILES COc1ccc(cc1S(=O)(=O)NC(CC(O)=O)c1ccccc1)-c1cccc(CNc2nc3ccccc3[nH]2)c1
Show InChI InChI=1S/C30H28N4O5S/c1-39-27-15-14-23(17-28(27)40(37,38)34-26(18-29(35)36)21-9-3-2-4-10-21)22-11-7-8-20(16-22)19-31-30-32-24-12-5-6-13-25(24)33-30/h2-17,26,34H,18-19H2,1H3,(H,35,36)(H2,31,32,33)
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PubMed
 60n/an/an/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
In vitro activity in an vitronectin receptor (alpha v beta3) scintillation bead assay using 125-I labelled echistatin as a radioligand

Bioorg Med Chem Lett 12: 205-8 (2001)


BindingDB Entry DOI: 10.7270/Q27945T7
More data for this
Ligand-Target Pair