BindingDB logo
myBDB logout

null

SMILES: [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6]-[#8]-c1ccc(-[#6]-[#6@H](-[#7]S(=O)(=O)c2cccc(c2)C(F)(F)F)-[#6](-[#8])=O)cc1-[#7]

InChI Key: InChIKey=NENWIXCUUFUHIH-KRWDZBQOSA-N

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 = 50378333   
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))
BDBM50378333
PNG
(CHEMBL583214)
Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6]-[#8]-c1ccc(-[#6]-[#6@H](-[#7]S(=O)(=O)c2cccc(c2)C(F)(F)F)-[#6](-[#8])=O)cc1-[#7] |r|
Show InChI InChI=1S/C21H26F3N5O5S/c22-21(23,24)14-4-3-5-15(12-14)35(32,33)29-17(19(30)31)11-13-6-7-18(16(25)10-13)34-9-2-1-8-28-20(26)27/h3-7,10,12,17,29H,1-2,8-9,11,25H2,(H,30,31)(H4,26,27,28)/t17-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70n/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))
BDBM50378333
PNG
(CHEMBL583214)
Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6]-[#8]-c1ccc(-[#6]-[#6@H](-[#7]S(=O)(=O)c2cccc(c2)C(F)(F)F)-[#6](-[#8])=O)cc1-[#7] |r|
Show InChI InChI=1S/C21H26F3N5O5S/c22-21(23,24)14-4-3-5-15(12-14)35(32,33)29-17(19(30)31)11-13-6-7-18(16(25)10-13)34-9-2-1-8-28-20(26)27/h3-7,10,12,17,29H,1-2,8-9,11,25H2,(H,30,31)(H4,26,27,28)/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 7.30n/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