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SMILES: NCCCCOc1ccc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)cc1N

InChI Key: InChIKey=FQPKIJJOVFKDLD-KRWDZBQOSA-N

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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 2 hits for monomerid = 50378321   
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-V/beta-3


(Homo sapiens (Human))
BDBM50378321
PNG
(CHEMBL568070)
Show SMILES NCCCCOc1ccc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)cc1N |r|
Show InChI InChI=1S/C20H24F3N3O5S/c21-20(22,23)14-4-3-5-15(12-14)32(29,30)26-17(19(27)28)11-13-6-7-18(16(25)10-13)31-9-2-1-8-24/h3-7,10,12,17,26H,1-2,8-9,11,24-25H2,(H,27,28)/t17-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 428n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human integrin alphav beta3 receptor by biotinylated vitronectin competitive binding assay


J Med Chem 52: 7029-43 (2009)


Article DOI: 10.1021/jm901133z
BindingDB Entry DOI: 10.7270/Q2GB2507
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50378321
PNG
(CHEMBL568070)
Show SMILES NCCCCOc1ccc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)cc1N |r|
Show InChI InChI=1S/C20H24F3N3O5S/c21-20(22,23)14-4-3-5-15(12-14)32(29,30)26-17(19(27)28)11-13-6-7-18(16(25)10-13)31-9-2-1-8-24/h3-7,10,12,17,26H,1-2,8-9,11,24-25H2,(H,27,28)/t17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 154n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha2b beta3 receptor by fibrinogen competitive binding assay


J Med Chem 52: 7029-43 (2009)


Article DOI: 10.1021/jm901133z
BindingDB Entry DOI: 10.7270/Q2GB2507
More data for this
Ligand-Target Pair