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BDBM50108473 3-[4-Methoxy-3'-(3-pyridin-3-yl-ureido)-biphenyl-3-sulfonylamino]-3-phenyl-propionic acid::CHEMBL65632

SMILES: COc1ccc(cc1S(=O)(=O)NC(CC(O)=O)c1ccccc1)-c1cccc(NC(=O)Nc2cccnc2)c1

InChI Key: InChIKey=PBBMXHJSLKNABH-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50108473   
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))		BDBM50108473
PNG
(3-[4-Methoxy-3'-(3-pyridin-3-yl-ureido)-biphenyl-3...)
Show SMILES COc1ccc(cc1S(=O)(=O)NC(CC(O)=O)c1ccccc1)-c1cccc(NC(=O)Nc2cccnc2)c1
Show InChI InChI=1S/C28H26N4O6S/c1-38-25-13-12-21(20-9-5-10-22(15-20)30-28(35)31-23-11-6-14-29-18-23)16-26(25)39(36,37)32-24(17-27(33)34)19-7-3-2-4-8-19/h2-16,18,24,32H,17H2,1H3,(H,33,34)(H2,30,31,35)
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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