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BDBM50111428 7-Oxo-7-(8-pyridin-4-yl-2,8-diaza-spiro[4.5]dec-2-yl)-heptanoic acid::CHEMBL13002

SMILES: OC(=O)CCCCCC(=O)N1CCC2(C1)CCN(CC2)c1ccncc1

InChI Key: InChIKey=CQAFKURLWJZDPS-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50111428   
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))
BDBM50111428
PNG
(7-Oxo-7-(8-pyridin-4-yl-2,8-diaza-spiro[4.5]dec-2-...)
Show SMILES OC(=O)CCCCCC(=O)N1CCC2(C1)CCN(CC2)c1ccncc1
Show InChI InChI=1S/C20H29N3O3/c24-18(4-2-1-3-5-19(25)26)23-15-10-20(16-23)8-13-22(14-9-20)17-6-11-21-12-7-17/h6-7,11-12H,1-5,8-10,13-16H2,(H,25,26)
PDB

KEGG

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PC cid
PC sid
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Patents

PubMed
n/an/a 43n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
In vitro activity to block the binding of fibrinogen to purified human fibrinogen receptor.


Bioorg Med Chem Lett 12: 1103-7 (2002)


BindingDB Entry DOI: 10.7270/Q2H131BN
More data for this
Ligand-Target Pair