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BDBM50152786 (S)-3-(5-5,6,7,8-Tetrahydro-[1,8]naphthyridin-2-yl-pentanoylamino)-2-(toluene-4-sulfonylamino)-propionic acid::CHEMBL182537

SMILES: Cc1ccc(cc1)S(=O)(=O)N[C@@H](CNC(=O)CCCCc1ccc2CCCNc2n1)C(O)=O

InChI Key: InChIKey=RIXFBZVXQWVSQN-FQEVSTJZSA-N

Data: 1 IC50

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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 = 50152786   
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))
BDBM50152786
PNG
((S)-3-(5-5,6,7,8-Tetrahydro-[1,8]naphthyridin-2-yl...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](CNC(=O)CCCCc1ccc2CCCNc2n1)C(O)=O
Show InChI InChI=1S/C23H30N4O5S/c1-16-8-12-19(13-9-16)33(31,32)27-20(23(29)30)15-25-21(28)7-3-2-6-18-11-10-17-5-4-14-24-22(17)26-18/h8-13,20,27H,2-7,14-15H2,1H3,(H,24,26)(H,25,28)(H,29,30)/t20-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of alpha v beta 3 receptor binding


Bioorg Med Chem Lett 14: 4411-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.068
BindingDB Entry DOI: 10.7270/Q2PZ5B0H
More data for this
Ligand-Target Pair