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BDBM50166692 3-(2-Methoxy-phenyl)-3-{5-[2-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-ethoxy]-indol-1-yl}-propionic acid::CHEMBL193269

SMILES: COc1ccccc1C(CC(O)=O)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12

InChI Key: InChIKey=YURBLSCQXZUCIK-UHFFFAOYSA-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 = 50166692   
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))
BDBM50166692
PNG
(3-(2-Methoxy-phenyl)-3-{5-[2-(5,6,7,8-tetrahydro-[...)
Show SMILES COc1ccccc1C(CC(O)=O)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12
Show InChI InChI=1S/C28H29N3O4/c1-34-26-7-3-2-6-23(26)25(18-27(32)33)31-15-12-20-17-22(10-11-24(20)31)35-16-13-21-9-8-19-5-4-14-29-28(19)30-21/h2-3,6-12,15,17,25H,4-5,13-14,16,18H2,1H3,(H,29,30)(H,32,33)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.10n/an/an/an/an/an/a



Johnson& Johnson, Pharmaceutical Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory concentration against alphaV-beta3 integrin


Bioorg Med Chem Lett 15: 2679-84 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.028
BindingDB Entry DOI: 10.7270/Q2N29Z40
More data for this
Ligand-Target Pair