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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50143874'   
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))
BDBM50143874
PNG
((R)-3-{[2-(4-Carbamimidoyl-phenyl)-1-oxo-2,8-diaza...)
Show SMILES C[C@H](CC(O)=O)NC(=O)N1CCC2(CCN(C2=O)c2ccc(cc2)C(N)=N)CC1
Show InChI InChI=1S/C20H27N5O4/c1-13(12-16(26)27)23-19(29)24-9-6-20(7-10-24)8-11-25(18(20)28)15-4-2-14(3-5-15)17(21)22/h2-5,13H,6-12H2,1H3,(H3,21,22)(H,23,29)(H,26,27)/t13-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Tested for inhibition of the binding of fibrinogen to purified human GPIIb-IIIa in a 96-well format (ELISA assay)


J Med Chem 47: 2037-61 (2004)


Article DOI: 10.1021/jm030354b
BindingDB Entry DOI: 10.7270/Q2FQ9W1H
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50143874
PNG
((R)-3-{[2-(4-Carbamimidoyl-phenyl)-1-oxo-2,8-diaza...)
Show SMILES C[C@H](CC(O)=O)NC(=O)N1CCC2(CCN(C2=O)c2ccc(cc2)C(N)=N)CC1
Show InChI InChI=1S/C20H27N5O4/c1-13(12-16(26)27)23-19(29)24-9-6-20(7-10-24)8-11-25(18(20)28)15-4-2-14(3-5-15)17(21)22/h2-5,13H,6-12H2,1H3,(H3,21,22)(H,23,29)(H,26,27)/t13-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 68n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of platelet aggregation induced by 20 microM adenosine 5-diphosphate (ADP) in citrated human platelet rich plasma (h-PRP)


J Med Chem 47: 2037-61 (2004)


Article DOI: 10.1021/jm030354b
BindingDB Entry DOI: 10.7270/Q2FQ9W1H
More data for this
Ligand-Target Pair