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BDBM50125295 (S)-3-[3'-(3-Isopropyl-ureido)-biphenyl-4-yl]-2-(2,4,6-trimethyl-benzenesulfonylamino)-propionic acid::CHEMBL11207

SMILES: CC(C)NC(=O)Nc1cccc(c1)-c1ccc(C[C@H](NS(=O)(=O)c2c(C)cc(C)cc2C)C(O)=O)cc1

InChI Key: InChIKey=VPTRDGDTSDXFKT-VWLOTQADSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50125295   
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))		BDBM50125295
PNG
((S)-3-[3'-(3-Isopropyl-ureido)-biphenyl-4-yl]-2-(2...)
Show SMILES CC(C)NC(=O)Nc1cccc(c1)-c1ccc(C[C@H](NS(=O)(=O)c2c(C)cc(C)cc2C)C(O)=O)cc1
Show InChI InChI=1S/C28H33N3O5S/c1-17(2)29-28(34)30-24-8-6-7-23(16-24)22-11-9-21(10-12-22)15-25(27(32)33)31-37(35,36)26-19(4)13-18(3)14-20(26)5/h6-14,16-17,25,31H,15H2,1-5H3,(H,32,33)(H2,29,30,34)/t25-/m0/s1
PDB

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Similars
PubMed
 14n/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