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BDBM50152787 (S)-2-(3-Benzyl-ureido)-9-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-nonanoic acid::CHEMBL185496

SMILES: OC(=O)[C@H](CCCCCCCc1ccc2CCCNc2n1)NC(=O)NCc1ccccc1

InChI Key: InChIKey=YKFFKLLBAOJGON-QFIPXVFZSA-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 = 50152787   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50152787
PNG
((S)-2-(3-Benzyl-ureido)-9-(5,6,7,8-tetrahydro-[1,8...)
Show SMILES OC(=O)[C@H](CCCCCCCc1ccc2CCCNc2n1)NC(=O)NCc1ccccc1
Show InChI InChI=1S/C25H34N4O3/c30-24(31)22(29-25(32)27-18-19-10-5-4-6-11-19)14-8-3-1-2-7-13-21-16-15-20-12-9-17-26-23(20)28-21/h4-6,10-11,15-16,22H,1-3,7-9,12-14,17-18H2,(H,26,28)(H,30,31)(H2,27,29,32)/t22-/m0/s1
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Similars

Article
PubMed
n/an/a 4.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding to alpha v beta 3 receptor


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