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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 541.5
BDBM50083809

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))
BDBM50083809
PNG
(3-({1-[3-(1H-Imidazol-2-ylamino)-propyl]-1H-indazo...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@@H](CNC(=O)c1ccc2n(CCCNc3ncc[nH]3)ncc2c1)C(O)=O
Show InChI InChI=1S/C24H27N7O6S/c1-37-18-4-6-19(7-5-18)38(35,36)30-20(23(33)34)15-28-22(32)16-3-8-21-17(13-16)14-29-31(21)12-2-9-25-24-26-10-11-27-24/h3-8,10-11,13-14,20,30H,2,9,12,15H2,1H3,(H,28,32)(H,33,34)(H2,25,26,27)/t20-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 26n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhbitory activity against beta3-transfected 293 cells using alpha-V beta-3 antagonism assay


J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50083809
PNG
(3-({1-[3-(1H-Imidazol-2-ylamino)-propyl]-1H-indazo...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@@H](CNC(=O)c1ccc2n(CCCNc3ncc[nH]3)ncc2c1)C(O)=O
Show InChI InChI=1S/C24H27N7O6S/c1-37-18-4-6-19(7-5-18)38(35,36)30-20(23(33)34)15-28-22(32)16-3-8-21-17(13-16)14-29-31(21)12-2-9-25-24-26-10-11-27-24/h3-8,10-11,13-14,20,30H,2,9,12,15H2,1H3,(H,28,32)(H,33,34)(H2,25,26,27)/t20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 410n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of aggregation of human gel-purified platelets (GPIIbIIIa GPP)


J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair