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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 = 'BDBM50143858'   
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))
BDBM50143858
PNG
(5-[3-(4-Carbamimidoyl-phenyl)-1-methyl-2-oxo-1,3,8...)
Show SMILES CN1C(=O)N(CC11CCN(CC1)C(=O)CC(CC(O)=O)c1ccccc1)c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C26H31N5O4/c1-29-25(35)31(21-9-7-19(8-10-21)24(27)28)17-26(29)11-13-30(14-12-26)22(32)15-20(16-23(33)34)18-5-3-2-4-6-18/h2-10,20H,11-17H2,1H3,(H3,27,28)(H,33,34)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 20n/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))
BDBM50143858
PNG
(5-[3-(4-Carbamimidoyl-phenyl)-1-methyl-2-oxo-1,3,8...)
Show SMILES CN1C(=O)N(CC11CCN(CC1)C(=O)CC(CC(O)=O)c1ccccc1)c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C26H31N5O4/c1-29-25(35)31(21-9-7-19(8-10-21)24(27)28)17-26(29)11-13-30(14-12-26)22(32)15-20(16-23(33)34)18-5-3-2-4-6-18/h2-10,20H,11-17H2,1H3,(H3,27,28)(H,33,34)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 80n/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