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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 = 'BDBM50143864'   
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))
BDBM50143864
PNG
(5-[2-(4-Carbamimidoyl-phenyl)-1-oxo-2,8-diaza-spir...)
Show SMILES Cc1noc(C)c1S(=O)(=O)N[C@@H](CCC(=O)N1CCC2(CCN(C2=O)c2ccc(cc2)C(N)=N)CC1)C(O)=O
Show InChI InChI=1S/C25H32N6O7S/c1-15-21(16(2)38-28-15)39(36,37)29-19(23(33)34)7-8-20(32)30-12-9-25(10-13-30)11-14-31(24(25)35)18-5-3-17(4-6-18)22(26)27/h3-6,19,29H,7-14H2,1-2H3,(H3,26,27)(H,33,34)/t19-/m0/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))
BDBM50143864
PNG
(5-[2-(4-Carbamimidoyl-phenyl)-1-oxo-2,8-diaza-spir...)
Show SMILES Cc1noc(C)c1S(=O)(=O)N[C@@H](CCC(=O)N1CCC2(CCN(C2=O)c2ccc(cc2)C(N)=N)CC1)C(O)=O
Show InChI InChI=1S/C25H32N6O7S/c1-15-21(16(2)38-28-15)39(36,37)29-19(23(33)34)7-8-20(32)30-12-9-25(10-13-30)11-14-31(24(25)35)18-5-3-17(4-6-18)22(26)27/h3-6,19,29H,7-14H2,1-2H3,(H3,26,27)(H,33,34)/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 36n/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