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SMILES: [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-c2ccccc2)-[#6]-[#7]-[#6]-1=O

InChI Key: InChIKey=JBCUWZUACLSOTF-PMPSAXMXSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50378570   
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))
BDBM50378570
PNG
(CHEMBL572085)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-c2ccccc2)-[#6]-[#7]-[#6]-1=O |r|
Show InChI InChI=1S/C22H31N7O6/c23-22(24)25-8-4-7-15-20(34)26-12-14(9-13-5-2-1-3-6-13)27-21(35)16(10-19(32)33)29-18(31)11-17(30)28-15/h1-3,5-6,14-16H,4,7-12H2,(H,26,34)(H,27,35)(H,28,30)(H,29,31)(H,32,33)(H4,23,24,25)/t14-,15+,16+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 24n/an/an/an/an/an/a



Universita degli Studi di Bologna

Curated by ChEMBL


Assay Description
Inhibition of alpha5beta1 integrin-mediated cell adhesion in human K562 cells on fibronectin coated plate after 30 mins


J Med Chem 53: 106-18 (2010)


Article DOI: 10.1021/jm9013532
BindingDB Entry DOI: 10.7270/Q2G161S9
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50378570
PNG
(CHEMBL572085)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-c2ccccc2)-[#6]-[#7]-[#6]-1=O |r|
Show InChI InChI=1S/C22H31N7O6/c23-22(24)25-8-4-7-15-20(34)26-12-14(9-13-5-2-1-3-6-13)27-21(35)16(10-19(32)33)29-18(31)11-17(30)28-15/h1-3,5-6,14-16H,4,7-12H2,(H,26,34)(H,27,35)(H,28,30)(H,29,31)(H,32,33)(H4,23,24,25)/t14-,15+,16+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 180n/an/an/an/an/an/a



Universita degli Studi di Bologna

Curated by ChEMBL


Assay Description
Inhibition of alphavbeta3 integrin-mediated cell adhesion in human SK-MEL-24 cells on fibronectin coated plate after 30 mins


J Med Chem 53: 106-18 (2010)


Article DOI: 10.1021/jm9013532
BindingDB Entry DOI: 10.7270/Q2G161S9
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50378570
PNG
(CHEMBL572085)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-c2ccccc2)-[#6]-[#7]-[#6]-1=O |r|
Show InChI InChI=1S/C22H31N7O6/c23-22(24)25-8-4-7-15-20(34)26-12-14(9-13-5-2-1-3-6-13)27-21(35)16(10-19(32)33)29-18(31)11-17(30)28-15/h1-3,5-6,14-16H,4,7-12H2,(H,26,34)(H,27,35)(H,28,30)(H,29,31)(H,32,33)(H4,23,24,25)/t14-,15+,16+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 240n/an/an/an/an/an/a



Universita degli Studi di Bologna

Curated by ChEMBL


Assay Description
Inhibition of alphavbeta3 integrin-mediated cell adhesion in HUVEC on vitronectin coated plate after 30 mins


J Med Chem 53: 106-18 (2010)


Article DOI: 10.1021/jm9013532
BindingDB Entry DOI: 10.7270/Q2G161S9
More data for this
Ligand-Target Pair