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BDBM50143847 5-[2-(4-Carbamimidoyl-phenyl)-3-oxo-2,8-diaza-spiro[4.5]dec-8-yl]-5-oxo-3-phenyl-pentanoic acid::CHEMBL64355

SMILES: NC(=N)c1ccc(cc1)N1CC2(CC1=O)CCN(CC2)C(=O)CC(CC(O)=O)c1ccccc1

InChI Key: InChIKey=OTQPSOHVLSUEKO-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50143847   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50143847
PNG
(5-[2-(4-Carbamimidoyl-phenyl)-3-oxo-2,8-diaza-spir...)
Show SMILES NC(=N)c1ccc(cc1)N1CC2(CC1=O)CCN(CC2)C(=O)CC(CC(O)=O)c1ccccc1
Show InChI InChI=1S/C26H30N4O4/c27-25(28)19-6-8-21(9-7-19)30-17-26(16-23(30)32)10-12-29(13-11-26)22(31)14-20(15-24(33)34)18-4-2-1-3-5-18/h1-9,20H,10-17H2,(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 25n/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))
BDBM50143847
PNG
(5-[2-(4-Carbamimidoyl-phenyl)-3-oxo-2,8-diaza-spir...)
Show SMILES NC(=N)c1ccc(cc1)N1CC2(CC1=O)CCN(CC2)C(=O)CC(CC(O)=O)c1ccccc1
Show InChI InChI=1S/C26H30N4O4/c27-25(28)19-6-8-21(9-7-19)30-17-26(16-23(30)32)10-12-29(13-11-26)22(31)14-20(15-24(33)34)18-4-2-1-3-5-18/h1-9,20H,10-17H2,(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 100n/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