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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 497.5
BDBM50083771

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
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))
BDBM50083771
PNG
(2-(3,5-Dimethyl-isoxazole-4-sulfonylamino)-3-({5-[...)
Show SMILES Cc1noc(C)c1S(=O)(=O)N[C@@H](CNC(=O)C1=NOC(CCCCNc2ncc[nH]2)C1)C(O)=O |t:17|
Show InChI InChI=1S/C19H27N7O7S/c1-11-16(12(2)32-24-11)34(30,31)26-15(18(28)29)10-23-17(27)14-9-13(33-25-14)5-3-4-6-20-19-21-7-8-22-19/h7-8,13,15,26H,3-6,9-10H2,1-2H3,(H,23,27)(H,28,29)(H2,20,21,22)/t13?,15-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 73n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of vitronectin receptor (alpha V beta 3), expressed on human 293 cells, binding to immobilized fibrinogen


J Med Chem 43: 27-40 (2000)


BindingDB Entry DOI: 10.7270/Q2571B77
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50083771
PNG
(2-(3,5-Dimethyl-isoxazole-4-sulfonylamino)-3-({5-[...)
Show SMILES Cc1noc(C)c1S(=O)(=O)N[C@@H](CNC(=O)C1=NOC(CCCCNc2ncc[nH]2)C1)C(O)=O |t:17|
Show InChI InChI=1S/C19H27N7O7S/c1-11-16(12(2)32-24-11)34(30,31)26-15(18(28)29)10-23-17(27)14-9-13(33-25-14)5-3-4-6-20-19-21-7-8-22-19/h7-8,13,15,26H,3-6,9-10H2,1-2H3,(H,23,27)(H,28,29)(H2,20,21,22)/t13?,15-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of platelet aggregation in human platelet rich plasma (PRP)


J Med Chem 43: 27-40 (2000)


BindingDB Entry DOI: 10.7270/Q2571B77
More data for this
Ligand-Target Pair