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BDBM50125308 (S)-2-(2,4,6-Trimethyl-benzenesulfonylamino)-3-(3'-ureido-biphenyl-4-yl)-propionic acid::CHEMBL268265

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

InChI Key: InChIKey=BDYCPXWUAKXQDL-QFIPXVFZSA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50125308   
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))
BDBM50125308
PNG
((S)-2-(2,4,6-Trimethyl-benzenesulfonylamino)-3-(3'...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(NC(N)=O)c1)C(O)=O
Show InChI InChI=1S/C25H27N3O5S/c1-15-11-16(2)23(17(3)12-15)34(32,33)28-22(24(29)30)13-18-7-9-19(10-8-18)20-5-4-6-21(14-20)27-25(26)31/h4-12,14,22,28H,13H2,1-3H3,(H,29,30)(H3,26,27,31)/t22-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
80n/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