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BDBM50111413 4-Oxo-4-[4-(2-pyridin-4-yl-2,8-diaza-spiro[4.5]decane-8-carbonyl)-piperazin-1-yl]-butyric acid::CHEMBL12782

SMILES: OC(=O)CCC(=O)N1CCN(CC1)C(=O)N1CCC2(CCN(C2)c2ccncc2)CC1

InChI Key: InChIKey=DIVMPFDEIQXDDL-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 = 50111413   
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))
BDBM50111413
PNG
(4-Oxo-4-[4-(2-pyridin-4-yl-2,8-diaza-spiro[4.5]dec...)
Show SMILES OC(=O)CCC(=O)N1CCN(CC1)C(=O)N1CCC2(CCN(C2)c2ccncc2)CC1
Show InChI InChI=1S/C22H31N5O4/c28-19(1-2-20(29)30)24-13-15-26(16-14-24)21(31)25-10-5-22(6-11-25)7-12-27(17-22)18-3-8-23-9-4-18/h3-4,8-9H,1-2,5-7,10-17H2,(H,29,30)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 1.50E+3n/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