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BDBM50004056 (S)-3-[4-(8-Amino-octyloxy)-phenyl]-2-benzyloxycarbonylamino-propionic acid::3-[4-(8-Amino-octyloxy)-phenyl]-2-benzyloxycarbonylamino-propionic acid::CHEMBL85268

SMILES: NCCCCCCCCOc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(O)=O)cc1

InChI Key: InChIKey=JFPPNMCJDHWZDM-QHCPKHFHSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50004056   
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))
BDBM50004056
PNG
((S)-3-[4-(8-Amino-octyloxy)-phenyl]-2-benzyloxycar...)
Show SMILES NCCCCCCCCOc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C25H34N2O5/c26-16-8-3-1-2-4-9-17-31-22-14-12-20(13-15-22)18-23(24(28)29)27-25(30)32-19-21-10-6-5-7-11-21/h5-7,10-15,23H,1-4,8-9,16-19,26H2,(H,27,30)(H,28,29)/t23-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 4.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of ADP-mediated human gel filtered platelet aggregation.


J Med Chem 35: 4640-2 (1993)


Article DOI: 10.1021/jm00102a020
BindingDB Entry DOI: 10.7270/Q2SF2V44
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50004056
PNG
((S)-3-[4-(8-Amino-octyloxy)-phenyl]-2-benzyloxycar...)
Show SMILES NCCCCCCCCOc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C25H34N2O5/c26-16-8-3-1-2-4-9-17-31-22-14-12-20(13-15-22)18-23(24(28)29)27-25(30)32-19-21-10-6-5-7-11-21/h5-7,10-15,23H,1-4,8-9,16-19,26H2,(H,27,30)(H,28,29)/t23-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 3.80E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .


J Med Chem 37: 2537-51 (1994)


Article DOI: 10.1021/jm00042a007
BindingDB Entry DOI: 10.7270/Q2N878VF
More data for this
Ligand-Target Pair