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BDBM50116973 (S)-3-(2-Oxo-2,3-dihydro-benzooxazol-6-yl)-3-(5-5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl-pentanoylamino)-propionic acid::CHEMBL310212

SMILES: OC(=O)C[C@H](NC(=O)CCCCc1ccc2CCCNc2n1)c1ccc2[nH]c(=O)oc2c1

InChI Key: InChIKey=HMSRWRARJSOMMA-SFHVURJKSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50116973   
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))
BDBM50116973
PNG
((S)-3-(2-Oxo-2,3-dihydro-benzooxazol-6-yl)-3-(5-5,...)
Show SMILES OC(=O)C[C@H](NC(=O)CCCCc1ccc2CCCNc2n1)c1ccc2[nH]c(=O)oc2c1
Show InChI InChI=1S/C23H26N4O5/c28-20(6-2-1-5-16-9-7-14-4-3-11-24-22(14)25-16)26-18(13-21(29)30)15-8-10-17-19(12-15)32-23(31)27-17/h7-10,12,18H,1-6,11,13H2,(H,24,25)(H,26,28)(H,27,31)(H,29,30)/t18-/m0/s1
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding to human alpha V beta3


Bioorg Med Chem Lett 12: 2463-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00396-7
BindingDB Entry DOI: 10.7270/Q2MK6F2M
More data for this
Ligand-Target Pair