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BDBM50125301 (S)-3-{3'-[3-(2,2,2-Trifluoro-ethyl)-ureido]-biphenyl-4-yl}-2-(2,4,6-trimethyl-benzenesulfonylamino)-propionic acid::CHEMBL269214

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

InChI Key: InChIKey=BVLXEGZTQOBZJI-QHCPKHFHSA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50125301   
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))		BDBM50125301
PNG
((S)-3-{3'-[3-(2,2,2-Trifluoro-ethyl)-ureido]-biphe...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(NC(=O)NCC(F)(F)F)c1)C(O)=O
Show InChI InChI=1S/C27H28F3N3O5S/c1-16-11-17(2)24(18(3)12-16)39(37,38)33-23(25(34)35)13-19-7-9-20(10-8-19)21-5-4-6-22(14-21)32-26(36)31-15-27(28,29)30/h4-12,14,23,33H,13,15H2,1-3H3,(H,34,35)(H2,31,32,36)/t23-/m0/s1
PDB

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PubMed
 20n/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