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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'ITGAV/ITGB3' and Ligand = 'BDBM50141309'   
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
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50141309
PNG
(2-Benzenesulfonylamino-3-[4-(3-guanidino-benzoylam...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1cccc(c1)-[#6](=O)-[#7]-c1ccc(-[#6]-[#6](-[#7]S(=O)(=O)c2ccccc2)-[#6](-[#8])=O)cc1
Show InChI InChI=1S/C23H23N5O5S/c24-23(25)27-18-6-4-5-16(14-18)21(29)26-17-11-9-15(10-12-17)13-20(22(30)31)28-34(32,33)19-7-2-1-3-8-19/h1-12,14,20,28H,13H2,(H,26,29)(H,30,31)(H4,24,25,27)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha V/beta3 receptor by solid-phase receptor binding assays (SPRA)


Bioorg Med Chem Lett 14: 1471-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.015
BindingDB Entry DOI: 10.7270/Q2RJ4HXS
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50141309
PNG
(2-Benzenesulfonylamino-3-[4-(3-guanidino-benzoylam...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1cccc(c1)-[#6](=O)-[#7]-c1ccc(-[#6]-[#6](-[#7]S(=O)(=O)c2ccccc2)-[#6](-[#8])=O)cc1
Show InChI InChI=1S/C23H23N5O5S/c24-23(25)27-18-6-4-5-16(14-18)21(29)26-17-11-9-15(10-12-17)13-20(22(30)31)28-34(32,33)19-7-2-1-3-8-19/h1-12,14,20,28H,13H2,(H,26,29)(H,30,31)(H4,24,25,27)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.630n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha V/beta3 receptor by solid-phase receptor binding assays (SPRA)


Bioorg Med Chem Lett 14: 1471-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.015
BindingDB Entry DOI: 10.7270/Q2RJ4HXS
More data for this
Ligand-Target Pair