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SMILES: [#6]-[#8]-[#6](=O)-[#6@H]-1-[#6@@H]-2-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H]-1-2)-[#6](-[#6])-[#6]

InChI Key: InChIKey=DOGTZVFGDIJEBQ-MGTWRFQISA-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 4 hits for monomerid = 50372590   
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-5/beta-1


(Homo sapiens (Human))
BDBM50372590
PNG
(CHEMBL272661)
Show SMILES [#6]-[#8]-[#6](=O)-[#6@H]-1-[#6@@H]-2-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H]-1-2)-[#6](-[#6])-[#6]
Show InChI InChI=1S/C23H36N8O9/c1-9(2)16-21(38)29-10(5-4-6-26-23(24)25)18(35)27-8-12(32)28-11(7-13(33)34)19(36)31-17-14(20(37)30-16)15(17)22(39)40-3/h9-11,14-17H,4-8H2,1-3H3,(H,27,35)(H,28,32)(H,29,38)(H,30,37)(H,31,36)(H,33,34)(H4,24,25,26)/t10-,11-,14+,15+,16-,17+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Universit£ di Parma

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha5beta1 receptor mediated K562 cell adhesion to vitronectin


J Med Chem 51: 1771-82 (2008)


Article DOI: 10.1021/jm701214z
BindingDB Entry DOI: 10.7270/Q29K4C3P
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50372590
PNG
(CHEMBL272661)
Show SMILES [#6]-[#8]-[#6](=O)-[#6@H]-1-[#6@@H]-2-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H]-1-2)-[#6](-[#6])-[#6]
Show InChI InChI=1S/C23H36N8O9/c1-9(2)16-21(38)29-10(5-4-6-26-23(24)25)18(35)27-8-12(32)28-11(7-13(33)34)19(36)31-17-14(20(37)30-16)15(17)22(39)40-3/h9-11,14-17H,4-8H2,1-3H3,(H,27,35)(H,28,32)(H,29,38)(H,30,37)(H,31,36)(H,33,34)(H4,24,25,26)/t10-,11-,14+,15+,16-,17+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
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n/an/a 20n/an/an/an/an/an/a



Universit£ di Parma

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha-v-beta-3 receptor mediated WM115 cell adhesion to vitronectin


J Med Chem 51: 1771-82 (2008)


Article DOI: 10.1021/jm701214z
BindingDB Entry DOI: 10.7270/Q29K4C3P
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50372590
PNG
(CHEMBL272661)
Show SMILES [#6]-[#8]-[#6](=O)-[#6@H]-1-[#6@@H]-2-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H]-1-2)-[#6](-[#6])-[#6]
Show InChI InChI=1S/C23H36N8O9/c1-9(2)16-21(38)29-10(5-4-6-26-23(24)25)18(35)27-8-12(32)28-11(7-13(33)34)19(36)31-17-14(20(37)30-16)15(17)22(39)40-3/h9-11,14-17H,4-8H2,1-3H3,(H,27,35)(H,28,32)(H,29,38)(H,30,37)(H,31,36)(H,33,34)(H4,24,25,26)/t10-,11-,14+,15+,16-,17+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Universit£ di Parma

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha-V-beta-3 receptor mediated K562 cell adhesion to vitronectin


J Med Chem 51: 1771-82 (2008)


Article DOI: 10.1021/jm701214z
BindingDB Entry DOI: 10.7270/Q29K4C3P
More data for this
Ligand-Target Pair
Integrin alpha-5/beta-1


(Homo sapiens (Human))
BDBM50372590
PNG
(CHEMBL272661)
Show SMILES [#6]-[#8]-[#6](=O)-[#6@H]-1-[#6@@H]-2-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H]-1-2)-[#6](-[#6])-[#6]
Show InChI InChI=1S/C23H36N8O9/c1-9(2)16-21(38)29-10(5-4-6-26-23(24)25)18(35)27-8-12(32)28-11(7-13(33)34)19(36)31-17-14(20(37)30-16)15(17)22(39)40-3/h9-11,14-17H,4-8H2,1-3H3,(H,27,35)(H,28,32)(H,29,38)(H,30,37)(H,31,36)(H,33,34)(H4,24,25,26)/t10-,11-,14+,15+,16-,17+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Universit£ di Parma

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha-5-beta-1 receptor mediated WM115 cell adhesion to vitronectin


J Med Chem 51: 1771-82 (2008)


Article DOI: 10.1021/jm701214z
BindingDB Entry DOI: 10.7270/Q29K4C3P
More data for this
Ligand-Target Pair