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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-3' and Ligand = 'BDBM50166678'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50166678
PNG
(3-Benzo[1,3]dioxol-5-yl-3-{5-[2-(5,6,7,8-tetrahydr...)
Show SMILES OC(=O)CC(c1ccc2OCOc2c1)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12
Show InChI InChI=1S/C28H27N3O5/c32-27(33)16-24(19-4-8-25-26(15-19)36-17-35-25)31-12-9-20-14-22(6-7-23(20)31)34-13-10-21-5-3-18-2-1-11-29-28(18)30-21/h3-9,12,14-15,24H,1-2,10-11,13,16-17H2,(H,29,30)(H,32,33)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.380n/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
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50166678
PNG
(3-Benzo[1,3]dioxol-5-yl-3-{5-[2-(5,6,7,8-tetrahydr...)
Show SMILES OC(=O)CC(c1ccc2OCOc2c1)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12
Show InChI InChI=1S/C28H27N3O5/c32-27(33)16-24(19-4-8-25-26(15-19)36-17-35-25)31-12-9-20-14-22(6-7-23(20)31)34-13-10-21-5-3-18-2-1-11-29-28(18)30-21/h3-9,12,14-15,24H,1-2,10-11,13,16-17H2,(H,29,30)(H,32,33)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.380n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to Integrin alpha-v-beta-3 receptor by ELISA assay


Eur J Med Chem 42: 334-43 (2007)


Article DOI: 10.1016/j.ejmech.2006.10.015
BindingDB Entry DOI: 10.7270/Q21J9BKM
More data for this
Ligand-Target Pair