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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 564.6
BDBM50083813

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))
BDBM50083813
PNG
(3-({1-[3-(Pyridin-2-ylamino)-propyl]-1H-indazole-5...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)c1ccc2n(CCCNc3ccccn3)ncc2c1)C(O)=O
Show InChI InChI=1S/C28H32N6O5S/c1-18-13-19(2)26(20(3)14-18)40(38,39)33-23(28(36)37)17-31-27(35)21-8-9-24-22(15-21)16-32-34(24)12-6-11-30-25-7-4-5-10-29-25/h4-5,7-10,13-16,23,33H,6,11-12,17H2,1-3H3,(H,29,30)(H,31,35)(H,36,37)/t23-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 48n/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))
BDBM50083813
PNG
(3-({1-[3-(Pyridin-2-ylamino)-propyl]-1H-indazole-5...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)c1ccc2n(CCCNc3ccccn3)ncc2c1)C(O)=O
Show InChI InChI=1S/C28H32N6O5S/c1-18-13-19(2)26(20(3)14-18)40(38,39)33-23(28(36)37)17-31-27(35)21-8-9-24-22(15-21)16-32-34(24)12-6-11-30-25-7-4-5-10-29-25/h4-5,7-10,13-16,23,33H,6,11-12,17H2,1-3H3,(H,29,30)(H,31,35)(H,36,37)/t23-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 220n/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