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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50421435'   
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-IIb/beta-3


(Homo sapiens (Human))
BDBM50421435
PNG
(CHEMBL63562)
Show SMILES NC(=N)c1ccc(cc1)C(=O)N[C@@H](CC(=O)N1CCC(CC(O)=O)CC1)C(=O)OC1CCCCC1
Show InChI InChI=1S/C25H34N4O6/c26-23(27)17-6-8-18(9-7-17)24(33)28-20(25(34)35-19-4-2-1-3-5-19)15-21(30)29-12-10-16(11-13-29)14-22(31)32/h6-9,16,19-20H,1-5,10-15H2,(H3,26,27)(H,28,33)(H,31,32)/t20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.91E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair