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BDBM50108470 3-[3'-(3-Benzyl-ureido)-4-methoxy-biphenyl-3-sulfonylamino]-3-phenyl-propionic acid::CHEMBL65758

SMILES: COc1ccc(cc1S(=O)(=O)NC(CC(O)=O)c1ccccc1)-c1cccc(NC(=O)NCc2ccccc2)c1

InChI Key: InChIKey=AKIUZSSNMQSYLP-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50108470   
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))		BDBM50108470
PNG
(3-[3'-(3-Benzyl-ureido)-4-methoxy-biphenyl-3-sulfo...)
Show SMILES COc1ccc(cc1S(=O)(=O)NC(CC(O)=O)c1ccccc1)-c1cccc(NC(=O)NCc2ccccc2)c1
Show InChI InChI=1S/C30H29N3O6S/c1-39-27-16-15-24(18-28(27)40(37,38)33-26(19-29(34)35)22-11-6-3-7-12-22)23-13-8-14-25(17-23)32-30(36)31-20-21-9-4-2-5-10-21/h2-18,26,33H,19-20H2,1H3,(H,34,35)(H2,31,32,36)
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PubMed
 20n/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